SCHEMBL474339

SCHEMBL474339

Cn1c(=O)n(C)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.55
ERCC1 P07992 1/20 0.54
FEN1 P39748 1/20 0.54
ERCC4 Q92889 1/20 0.54
PIK3CD O00329 1/20 0.52
PIK3CA P42336 1/20 0.52
PIK3CB P42338 1/20 0.52
PIK3CG P48736 1/20 0.52
ALDH1A1 P00352 6/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
BRD4 O60885 2/20 0.52
BRPF1 P55201 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HSD17B10 Q99714 1/20 0.52
LMNA P02545 1/20 0.52
GLA P06280 1/20 0.52
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
KAT2B Q92831 1/20 0.50
BRD9 Q9H8M2 1/20 0.50

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
SCHEMBL29798837 1.00 CYP1A2 (0.55) CYP1A2ERCC1FEN1ERCC4PIK3CD
Hydrochloric Acid SCHEMBL30293270 0.97 CYP1A2 (0.53) CYP1A2ERCC1FEN1ERCC4PIK3CD
SCHEMBL19117688 0.83 CYP1A2 (0.47) CYP1A2ERCC1FEN1ERCC4ALDH1A1
SCHEMBL5143886 0.83 CYP1A2 (0.47) CYP1A2ERCC1FEN1ERCC4ALDH1A1
SCHEMBL1520214 0.83 ERCC1 (0.66) CYP1A2ERCC1FEN1ERCC4ALDH1A1
SCHEMBL5966706 0.83 CYP1A2 (0.47) CYP1A2ERCC1FEN1ERCC4ALDH1A1
SCHEMBL627253 0.83 CYP1A2 (0.47) CYP1A2ERCC1FEN1ERCC4ALDH1A1
SCHEMBL28595121 0.83 CYP1A2 (0.47) CYP1A2ERCC1FEN1ERCC4ALDH1A1
SCHEMBL13838140 0.83 CYP1A2 (0.47) CYP1A2ERCC1FEN1ERCC4ALDH1A1
SCHEMBL1278798 0.82 GABRA5 (0.55) CYP1A2ERCC1FEN1ERCC4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119118925-B Preparation method and application of benzimidazole-2-ketone derivative 中国人民解放军陆军军医大学 2025-05-27 CN claimed
CN-119789670-A Perovskite solar cell and preparation method thereof 中建科工集团有限公司 2025-04-08 CN claimed
CN-119118925-A Preparation method and application of benzimidazole-2-ketone derivative 中国人民解放军陆军军医大学 2024-12-13 CN claimed
CN-118724984-A Adsorption type film-forming corrosion inhibitor with high stability and preparation method thereof 江苏创新石化有限公司 2024-10-01 CN claimed
US-20130109672-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICE (US) 2013-05-02 US claimed
US-7666977-B2 Poly(carbonate-co-urea) copolymers and melt transesterification method of preparing these copolymers SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2010-02-23 US claimed
US-7557175-B2 Poly(carbonate-co-urea) copolymers and melt transesterification method of preparing these copolymers SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2009-07-07 US claimed
US-7541372-B2 Aryl-isoxazolo-4-yl-oxadiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-06-02 US claimed
WO-2008136842-A1 POLY( CARBONATE-CO-UREA) COPOLYMERS SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2008-11-13 WO claimed
WO-2008136841-A1 POLY(CARBONATE-CO-UREA) COPOLYMERS AND MELT TRANSESTERIFICATION METHOD OF PREPARING THESE COPOLYMERS SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2008-11-13 WO claimed
EP-1036055-B1 METHOD FOR PRODUCING CHLOROCARBOXYLIC ACID CHLORIDES BASF AG (DE) 2002-03-27 EP claimed
US-6262300-B1 REACTING THE CORRESPONDING LACTONE WITH PHOSPGENE IN PRESENCE OF UREA BASF AKTIENGESELLSCHAFT (DE) 2001-07-17 US claimed
US-6245954-B1 PREPARING ALKYL, ALKENYL AND ALKYNYL CHLORIDES FROM ALCOHOLS BY REACTION WITH CHLORINATING AGENT IN PRESENCE OF UREA COMPOUND AS CATALYST BASF AKTIENGESELLSCHAFT (DE) 2001-06-12 US claimed
EP-1036055-A2 METHOD FOR PRODUCING CHLOROCARBOXYLIC ACID CHLORIDES BASF AKTIENGESELLSCHAFT (DE) 2000-09-20 EP claimed
WO-1999029648-A2 METHOD FOR PRODUCING CHLOROCARBOXYLIC ACID CHLORIDES BASF AKTIENGESELLSCHAFT (DE) 1999-06-17 WO claimed
US-5518891-A SUBSTITUTED ANILINES, HYDRAZONES OR 4-AMINOANTIPYRINES ACTIMED LABORATORIES, INC. (US) 1996-05-21 US claimed
US-4469874-A ALKYL THIOSALICYLATES MONSANTO COMPANY (US) 1984-09-04 US claimed
US-4367235-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1983-01-04 US claimed
EP-0000784-B1 4-HYDROXY-2-BENZIMIDAZOLINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICAMENTS Roche Diagnostics GmbH (DE) 1981-08-26 EP claimed
US-4283508-A Fragrant prevulcanization inhibitors MONSANTO COMPANY (US) 1981-08-11 US 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-20130109672-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE PDK2, PDK1, PKLR CYP1A2 1258/4885ERCC1 3840/4885FEN1 3581/4885

“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.