SCHEMBL2628176

SCHEMBL2628176

[C-]#[N+]c1ccc(Br)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.39
KDM1A O60341 2/20 0.37
KDM1B Q8NB78 1/20 0.37
NPC1 O15118 4/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
LMNA P02545 3/20 0.32
RAB9A P51151 3/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
PYCR1 P32322 1/20 0.32
NMT1 P30419 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2A6 P11509 2/20 0.30
GRK2 P25098 1/20 0.30
RECQL P46063 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29954268 1.00 DGAT1 (0.39) DGAT1KDM1AKDM1BNPC1SMN1; SMN2
SCHEMBL12412174 0.82 DGAT1 (0.35) DGAT1KDM1AKDM1BNPC1SMN1; SMN2
SCHEMBL1550445 0.77 DGAT1 (0.39) DGAT1KDM1AKDM1BNPC1SMN1; SMN2
SCHEMBL29954159 0.76 ALOX15 (0.42) SMN1; SMN2LMNAALDH1A1HPGDKMT2A
SCHEMBL12136644 0.76 ALDH1A1 (0.42) SMN1; SMN2LMNAALDH1A1HPGDKMT2A
SCHEMBL29953631 0.76 ALDH1A1 (0.42) SMN1; SMN2LMNAALDH1A1HPGDKMT2A
SCHEMBL324210 0.73 ALDH1A1 (0.35) SMN1; SMN2LMNAALDH1A1ALOX12PYCR1
SCHEMBL10252634 0.73 ESR1 (0.41)
SCHEMBL12548054 0.73 ALDH1A1 (0.33) LMNAALDH1A1GAAKMT2ARECQL
SCHEMBL13303832 0.73 ALDH1A1 (0.33) NPC1SMN1; SMN2RAB9AALDH1A1TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339936-A1 COMPOUND HAVING KINASE INHIBITORY ACTIVITY CYTOSINLAB THERAPEUTICS CO., LTD. (CN) 2023-10-26 US disclosed
US-20230150973-A1 NOVEL UREAS HAVING ANDROGEN RECEPTOR DEGRADATION ACTIVITY AND USES THEREOF ACCUTAR BIOTECHNOLOGY INC. (US) 2023-05-18 US disclosed
US-20180205025-A1 LIGHT EMITTING MATERIAL, MANUFACTURE METHOD THEREOF AND ORGANIC LIGHT EMITTING DIODE USING THE LIGHT EMITTING MATERIAL SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2018-07-19 US disclosed
US-20180201833-A1 LIGHT EMITTING MATERIAL, MANUFACTURE METHOD THEREOF AND ORGANIC LIGHT EMITTING DIODE USING THE LIGHT EMITTING MATERIAL SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2018-07-19 US disclosed
US-20180186768-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UC (IE) 2018-07-05 US disclosed
US-20180170901-A1 LIGHT EMITTING MATERIAL, MANUFACTURE METHOD THEREOF AND ORGANIC LIGHT EMITTING DIODE USING THE LIGHT EMITTING MATERIAL SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2018-06-21 US disclosed
US-20180170894-A1 LIGHT EMITTING MATERIAL, MANUFACTURE METHOD THEREOF AND ORGANIC LIGHT EMITTING DIODE USING THE LIGHT EMITTING MATERIAL SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2018-06-21 US disclosed
US-20180170900-A1 LIGHT EMITTING MATERIAL, MANUFACTURE METHOD THEREOF AND ORGANIC LIGHT EMITTING DIODE USING THE LIGHT EMITTING MATERIAL SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2018-06-21 US disclosed
US-20180170893-A1 LIGHT EMITTING MATERIAL, MANUFACTURE METHOD THEREOF AND ORGANIC LIGHT EMITTING DIODE USING THE LIGHT EMITTING MATERIAL SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2018-06-21 US disclosed
US-20180170899-A1 LIGHT EMITTING MATERIAL, MANUFACTURE METHOD THEREOF AND ORGANIC LIGHT EMITTING DIODE USING THE LIGHT EMITTING MATERIAL SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2018-06-21 US disclosed
US-7638632-B2 4-Ethynyl (1,2-dicyanobenzene)-4'-Ethynylphenyl-1(4,5-dicyanobenzene); 1,4-Bis(4-pyridyl)butadiyne; 4-ethynyl(pyridine)-4'-ethynylnaphthalene-1-pyridine; self-assembled mono-, multilayers/ supramolecular objects; three-terminal devices; logic switches;nanoelectronic ; computers; wires; dielectrics E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-12-29 US disclosed
US-20090298867-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R 2009-12-03 US disclosed
US-20090291956-A1 SALTS OF 2-FLUORO-N-METHYL-4-[7-(QUINOLIN-6-YL-METHYL)-IMIDAZO[1,2-b][1,2,4]TRIAZIN-2-YL]BENZAMIDE AND PROCESSES RELATED TO PREPARING THE SAME INCYTE CORPORATION 2009-11-26 US disclosed
US-7589103-B2 Especially 2-aminocarbonyl-9-(thio)xanthenylidene-8-aza-bicyclo[3.2.1] octane derivatives are used in pharmaceutical and veterinary compositions for treating mild to severe pain and various diseases JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-15 US disclosed
US-20090030218-A1 Method For Producing Aminoalcohol Derivative Having Biphenyl Group KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-01-29 US disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 US disclosed
US-20080090882-A1 Inhibitors of kinase h-sgk (human serum and glucocorticoid dependent kinase or SGK); diabetes, obesity, metabolic syndrome, systemic and pulmonary hypertonia, cardiovascular diseases and kidney diseases, fibroses and inflammatory processes; amide-substituted imidazoles, oxazoles, thiazoles, or furans MERCK PATENT GMBH (DE) 2008-04-17 US disclosed
US-20070232620-A1 3-Aminoindazoles MERCK PATENT GMBH (DE) 2007-10-04 US disclosed
US-20070215866-A1 Novel molecular structures with controllable electron conducting properties E. I. DU PONT DE NEMOURS AND COMPANY 2007-09-20 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (17 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180170899-A1 LIGHT EMITTING MATERIAL, MANUFACTURE METHOD THEREOF AND ORGANIC LIGHT EMITTING DIODE USING THE LIGHT EMITTING MATERIAL TPMT, UFM1, UBE2M DGAT1 1643/4885KDM1A 831/4885KDM1B 503/4885
US-20070215866-A1 Novel molecular structures with controllable electron conducting properties TYR, MITF, CRY2 DGAT1 1383/4885KDM1A 4330/4885KDM1B 4250/4885
US-20090298867-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 DGAT1 1826/4885KDM1A 1934/4885KDM1B 2477/4885
US-20180201833-A1 LIGHT EMITTING MATERIAL, MANUFACTURE METHOD THEREOF AND ORGANIC LIGHT EMITTING DIODE USING THE LIGHT EMITTING MATERIAL TPMT, UFM1, UBE2M DGAT1 1759/4885KDM1A 1116/4885KDM1B 709/4885
US-20080090882-A1 Inhibitors of kinase h-sgk (human serum and glucocorticoid dependent kinase or SGK); diabetes, obesity, metabolic syndrome, systemic and pulmonary hypertonia, cardiovascular diseases and kidney diseases, fibroses and inflammatory processes; amide-substituted imidazoles, oxazoles, thiazoles, or furans SGK1, SGK2, SGK3 DGAT1 1034/4885KDM1A 2951/4885KDM1B 3067/4885
US-20180170893-A1 LIGHT EMITTING MATERIAL, MANUFACTURE METHOD THEREOF AND ORGANIC LIGHT EMITTING DIODE USING THE LIGHT EMITTING MATERIAL UBE2M, UFM1, AUP1 DGAT1 1407/4885KDM1A 573/4885KDM1B 301/4885
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 DGAT1 1961/4885KDM1A 4374/4885KDM1B 4471/4885
US-20180170900-A1 LIGHT EMITTING MATERIAL, MANUFACTURE METHOD THEREOF AND ORGANIC LIGHT EMITTING DIODE USING THE LIGHT EMITTING MATERIAL TPMT, UFM1, UBE2M DGAT1 1643/4885KDM1A 831/4885KDM1B 503/4885
US-20180205025-A1 LIGHT EMITTING MATERIAL, MANUFACTURE METHOD THEREOF AND ORGANIC LIGHT EMITTING DIODE USING THE LIGHT EMITTING MATERIAL TPMT, UFM1, UBE2M DGAT1 1643/4885KDM1A 831/4885KDM1B 503/4885
US-20180170894-A1 LIGHT EMITTING MATERIAL, MANUFACTURE METHOD THEREOF AND ORGANIC LIGHT EMITTING DIODE USING THE LIGHT EMITTING MATERIAL UBE2M, UFM1, UFL1 DGAT1 1490/4885KDM1A 819/4885KDM1B 492/4885
US-20090291956-A1 SALTS OF 2-FLUORO-N-METHYL-4-[7-(QUINOLIN-6-YL-METHYL)-IMIDAZO[1,2-b][1,2,4]TRIAZIN-2-YL]BENZAMIDE AND PROCESSES RELATED TO PREPARING THE SAME ABL1, MET, ABL2 DGAT1 3406/4885KDM1A 443/4885KDM1B 254/4885
US-20230339936-A1 COMPOUND HAVING KINASE INHIBITORY ACTIVITY FLT3, ERBB2, ABL1 DGAT1 3280/4885KDM1A 1269/4885KDM1B 951/4885
US-20180186768-A1 Antibacterial Compounds FDPS, SQOR, NDUFS3 DGAT1 1695/4885KDM1A 4449/4885KDM1B 4404/4885
US-20090030218-A1 Method For Producing Aminoalcohol Derivative Having Biphenyl Group ALDH7A1, DDC, ADH5 DGAT1 926/4885KDM1A 700/4885KDM1B 387/4885
US-20230150973-A1 NOVEL UREAS HAVING ANDROGEN RECEPTOR DEGRADATION ACTIVITY AND USES THEREOF AR, UTS2R, ESRRA DGAT1 2681/4885KDM1A 1249/4885KDM1B 1301/4885
US-20180170901-A1 LIGHT EMITTING MATERIAL, MANUFACTURE METHOD THEREOF AND ORGANIC LIGHT EMITTING DIODE USING THE LIGHT EMITTING MATERIAL TPMT, UFM1, UBE2M DGAT1 1643/4885KDM1A 831/4885KDM1B 503/4885
US-20070232620-A1 3-Aminoindazoles SGK3, SGK1, SGK2 DGAT1 994/4885KDM1A 2694/4885KDM1B 2204/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.