SCHEMBL128548

SCHEMBL128548

[O]c1ccnc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.56
LOXL2 Q9Y4K0 1/20 0.52
HTR1A P08908 2/20 0.48
ADRA1D P25100 2/20 0.48
ADRA1A P35348 2/20 0.48
ADRA1B P35368 2/20 0.48
MAPT P10636 4/20 0.48
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 2/20 0.47
RAB9A P51151 2/20 0.47
PTK2B Q14289 2/20 0.47
CYP3A4 P08684 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN11 Q06124 1/20 0.43
ESR1 P03372 1/20 0.43
CYP1A2 P05177 3/20 0.43
ALOX15 P16050 2/20 0.43
FERMT2 Q96AC1 1/20 0.43

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
SCHEMBL276609 0.84 MAPT (0.58) NCF1MAPTKDM4ESMN1; SMN2CYP3A4
SCHEMBL29935774 0.76 MAPT (0.56) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL333756 0.76 MAPT (0.56) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL27917128 0.75 CYP1A2 (0.60) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL1227713 0.75 CYP1A2 (0.60) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL29699887 0.75 CYP1A2 (0.60) NCF1LOXL2HTR1AADRA1DADRA1A
Iodide SCHEMBL10806172 0.73 ALDH1A1 (0.60) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL134737 0.73 NCF1 (0.58) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL30487734 0.73 CYP1A2 (0.58) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL276512 0.73 KDM4C (0.48) MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113372334-A 2- (4-methionyl) anilino-4-amino-5-trifluoromethylpyrimidine derivatives and application thereof 贵州医科大学 2021-09-10 CN claimed
CN-106543145-B C-Met kinases presses down agent 3- (4- fluorophenyl) pyrimidone -5- benzoic acid amides derivative, preparation method and application 山西医科大学 2019-07-19 CN claimed
US-20190016745-A1 AMINOGLYCOSIDE DERIVATIVES AND USES THEREOF IN TREATING MICROBIAL INFECTIONS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2019-01-17 US claimed
CN-106478621-B Quinoline or quinazoline derivative, preparation method and applications 遵义医学院 2018-12-25 CN claimed
EP-3400231-A1 AMINOGLYCOSIDE DERIVATIVES AND USES THEREOF IN TREATING MICROBIAL INFECTIONS Technion Research & Development Foundation Limited (IL) 2018-11-14 EP claimed
CN-108530426-A 4- phenoxy groups substituted quinoline derivatives containing quinokysalines and its application 沈阳药科大学 2018-09-14 CN claimed
EP-3344641-A1 AMINOGLYCOSIDE DERIVATIVES AND USES THEREOF IN TREATING GENETIC DISORDERS Eloxx Pharmaceuticals Ltd. (IL) 2018-07-11 EP claimed
WO-2017118967-A1 AMINOGLYCOSIDE DERIVATIVES AND USES THEREOF IN TREATING MICROBIAL INFECTIONS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2017-07-13 WO claimed
WO-2017037719-A1 AMINOGLYCOSIDE DERIVATIVES AND USES THEREOF IN TREATING GENETIC DISORDERS ELOXX PHARMACEUTICALS LTD. (IL) 2017-03-09 WO claimed
EP-1105422-B1 HEPATITIS C INHIBITOR PEPTIDES BOEHRINGER INGELHEIM CA LTD (CA) 2006-02-15 EP claimed
EP-1105422-A1 HEPATITIS C INHIBITOR PEPTIDES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-06-13 EP claimed
WO-2000009558-A1 HEPATITIS C INHIBITOR PEPTIDES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2000-02-24 WO claimed
EP-0973767-A1 INDAZOLES OF CYCLIC UREAS USEFUL AS HIV PROTEASE INHIBITORS Dupont Pharmaceuticals Company (US) 2000-01-26 EP claimed
WO-1998043969-A1 INDAZOLES OF CYCLIC UREAS USEFUL AS HIV PROTEASE INHIBITORS DUPONT PHARMACEUTICALS COMPANY (US) 1998-10-08 WO claimed
EP-0436199-B1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LAB (US) 1994-08-03 EP claimed
US-5294716-A Chemical process for making angiotesin II antagonist compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-03-15 US claimed
US-5245035-A HETEROCYCLIC BORON COMPOUNDS AS INTERMEDIATES FOR ANGIOTENSIN II ANTAGONISTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-09-14 US claimed
EP-0495626-A1 Process for the preparation of tetrazole derivatives ZENECA LIMITED (GB) 1992-07-22 EP claimed
EP-0495627-A1 Boron compounds ZENECA LIMITED (GB) 1992-07-22 EP claimed
EP-0436199-A1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LABORATORIES (US) 1991-07-10 EP claimed

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

For each of this compound's patents that has machine-readable text (1 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-20190016745-A1 AMINOGLYCOSIDE DERIVATIVES AND USES THEREOF IN TREATING MICROBIAL INFECTIONS ALPI, MGAM, AASDHPPT NCF1 3673/4885LOXL2 3871/4885HTR1A 4108/4885

“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.