SCHEMBL4284807

SCHEMBL4284807

Nc1sc2ccccc2c1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.50
IDO1 P14902 7/20 0.48
TDO2 P48775 2/20 0.47
ALDH1A1 P00352 5/20 0.45
MAPT P10636 3/20 0.45
HPGD P15428 2/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LIMK1 P53667 2/20 0.41
IKBKB O14920 1/20 0.41
PTGS2 P35354 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 2/20 0.37
MEN1 O00255 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL12145585 0.77 LIMK1 (0.50) GPR3IDO1TDO2ALDH1A1MAPT
SCHEMBL1518983 0.76 GPR3 (0.55) GPR3TDO2ALDH1A1MAPTHPGD
SCHEMBL29434786 0.76 GPR3 (0.55) GPR3TDO2ALDH1A1MAPTHPGD
SCHEMBL3769911 0.76 GPR3 (0.55) GPR3IDO1TDO2ALDH1A1MAPT
SCHEMBL309376 0.76 GPR3 (0.55) GPR3TDO2ALDH1A1MAPTHPGD
Iodide SCHEMBL30577896 0.74 GPR3 (0.52) GPR3IDO1TDO2ALDH1A1MAPT
SCHEMBL19135547 0.74 GPR3 (0.52) GPR3ALDH1A1MAPTHPGDRAB9A
Hydrochloric Acid SCHEMBL9404602 0.74 GPR3 (0.52) GPR3IDO1TDO2ALDH1A1MAPT
SCHEMBL24442088 0.73 GPR3 (0.50) GPR3TDO2ALDH1A1MAPTHPGD
SCHEMBL718497 0.73 GPR3 (0.50) GPR3IDO1ALDH1A1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110016058-B Metal complex, organic electroluminescent material and organic electroluminescent device 石家庄诚志永华显示材料有限公司 2021-11-05 CN disclosed
WO-2020153758-A1 COMPOSITION, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE 엘티소재주식회사 2020-07-30 WO disclosed
US-10414762-B2 Amides of acetic and propionic acids BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-09-17 US disclosed
CN-110016058-A Metal complex, electroluminescent organic material, organic electroluminescence device 北京诚志永华显示科技有限公司 2019-07-16 CN disclosed
US-20190010150-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-01-10 US disclosed
US-9914729-B2 Amides of acetic and propionic acids BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-03-13 US disclosed
US-20170183339-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS BAYER HEALTHCARE AG (DE) 2017-06-29 US disclosed
US-20170141325-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2017-05-18 US disclosed
US-20170141325-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2017-05-18 US disclosed
EP-3162806-A2 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME Heesung Material Ltd. (KR) 2017-05-03 EP disclosed
US-20110284799-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-11-24 US disclosed
US-20110284799-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-11-24 US disclosed
WO-2010086089-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2010-08-05 WO disclosed
US-20090258898-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS BAYER HEALTHCARE AG (DE) 2009-10-15 US disclosed
US-7553851-B2 Amides of acetic and propionic acids BAYER HEALTHCARE AG (DE) 2009-06-30 US disclosed
US-20070037844-A1 2-(1-Azabicyclo[2.2.2]oct-3-yl)-N-(7-bromo-1-benzothien-2-yl)acetamide hydrochloride; nicotinic receptor agonists; cognition activators; learning enhancement; nootropic agents; demetia; cholinergic agents; Alzheimer's disease; brain traumas; stroke; attention deficit disorder; schizophrenia BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 US disclosed
EP-1487835-B1 AMIDES OF ACETIC AND PROPIONIC ACIDS BAYER HEALTHCARE AG (DE) 2006-09-20 EP disclosed
WO-2005044008-A2 2 -AMINOTHIOPHENE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-05-19 WO disclosed
EP-1487835-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS Bayer Aktiengesellschaft (DE) 2004-12-22 EP disclosed
WO-2003078430-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS BAYER HEALTHCARE AG (DE) 2003-09-25 WO 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 (7 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-20170183339-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS HCAR2, HCAR3, NAAA GPR3 262/4885IDO1 1490/4885TDO2 3580/4885
US-20110284799-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 GPR3 4376/4885IDO1 2782/4885TDO2 2590/4885
US-20190010150-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS HCAR2, HCAR3, NAAA GPR3 262/4885IDO1 1490/4885TDO2 3580/4885
US-20090258898-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS HCAR2, HCAR3, NAAA GPR3 262/4885IDO1 1490/4885TDO2 3580/4885
US-20070037844-A1 2-(1-Azabicyclo[2.2.2]oct-3-yl)-N-(7-bromo-1-benzothien-2-yl)acetamide hydrochloride; nicotinic receptor agonists; cognition activators; learning enhancement; nootropic agents; demetia; cholinergic agents; Alzheimer's disease; brain traumas; stroke; attention deficit disorder; schizophrenia CHRNA2, CHRNA6, CHRNA5 GPR3 468/4885IDO1 1859/4885TDO2 3087/4885
US-20170141325-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, CRY2, CYBA GPR3 3579/4885IDO1 2175/4885TDO2 606/4885
US-10414762-B2 Amides of acetic and propionic acids HCAR2, HCAR3, NAAA GPR3 262/4885IDO1 1490/4885TDO2 3580/4885

“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.