SCHEMBL4739775

SCHEMBL4739775

O=[C]Nc1ccc[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.44
DAO P14920 1/20 0.43
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
INCENP Q9NQS7 1/20 0.43
BLM P54132 3/20 0.41
TSHR P16473 1/20 0.41
NAPRT Q6XQN6 1/20 0.39
ALPL P05186 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.35
IDH1 O75874 1/20 0.35
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 2/20 0.33
FKBP5 Q13451 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL13904218 0.74
SCHEMBL7837272 0.74
SCHEMBL10094591 0.74
SCHEMBL25155579 0.73 MCL1 (0.42) MCL1DAOAURKAAURKBINCENP
SCHEMBL11463688 0.71 L3MBTL1 (0.37) ALDH1A1HSD17B10KDM4EGAAL3MBTL1
SCHEMBL969786 0.71
SCHEMBL5638899 0.71 MCL1 (0.44) MCL1DAOAURKAAURKBINCENP
SCHEMBL10094130 0.71 BLM (0.45) MCL1DAOAURKAAURKBINCENP
SCHEMBL16794593 0.69 NAPRT (0.52) DAOAURKAAURKBINCENPBLM
SCHEMBL20033714 0.69 BLM (0.44) MCL1DAOAURKAAURKBINCENP

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101668744-A Process for producing 1-substituted-2-pyridone-3-carboxylic acid derivative SHIONOGI & CO 2010-03-10 CN disclosed
CN-101668744-A Process for producing 1-substituted-2-pyridone-3-carboxylic acid derivative SHIONOGI & CO 2010-03-10 CN disclosed
WO-2008084671-A1 PROCESS FOR PRODUCING 1-SUBSTITUTED-2-PYRIDONE-3-CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO., LTD. (JP) 2008-07-17 WO disclosed
US-7220856-B2 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2007-05-22 US disclosed
CN-1678586-A Substituted quinoline CCR5 receptor antagonists SCHERING AG (DE) 2005-10-05 CN disclosed
US-20040072818-A1 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2004-04-15 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 (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-20040072818-A1 Substituted quinoline CCR5 receptor antagonists CCR5, CXCR3, CCR2 MCL1 1088/4885DAO 4130/4885AURKA 3063/4885

“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.