SCHEMBL5074093

SCHEMBL5074093

NC(=O)c1cccc2[nH]c(-c3cc4ccccc4[nH]3)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
GAA P10253 2/20 0.53
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PARP1 P09874 5/20 0.44
CHEK1 O14757 1/20 0.44
KDR P35968 1/20 0.44
FLT3 P36888 2/20 0.44
MAPT P10636 1/20 0.42
DAO P14920 1/20 0.42
HPGD P15428 1/20 0.42
SRD5A2 P31213 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MAPK1 P28482 1/20 0.42
BRD4 O60885 1/20 0.42

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
SCHEMBL6029569 0.85 DHODH (0.51) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL5073378 0.84 KDM4E (0.49) KDM4EALDH1A1GAAPARP1BRD4
SCHEMBL5077425 0.83 ALDH1A1 (0.51) KDM4EALDH1A1GAAPARP1HPGD
SCHEMBL31310116 0.81 KDR (0.54) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL2860216 0.81 KDR (0.54) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL5074225 0.81 BRD4 (0.54) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL5072021 0.80 KDM4E (0.48) KDM4EALDH1A1GAAPARP1CHEK1
SCHEMBL5076412 0.80 NPC1 (0.45) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL28417878 0.79 KDR (0.49) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL5557456 0.79 ESR1 (0.49) KDM4EALDH1A1GAANPC1RAB9A

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
WO-2008154129-A1 PHARMACEUTICAL COMPOSITIONS AND METHOD FOR TREATING, REDUCING, AMELIORATING, ALLEVIATING, OR PREVENTING DRY EYE BAUSCH & LOMB INCORPORATED (US) 2008-12-18 WO claimed
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye BAUSCH & LOMB INCORPORATED 2008-12-11 US claimed
WO-2008154129-A1 PHARMACEUTICAL COMPOSITIONS AND METHOD FOR TREATING, REDUCING, AMELIORATING, ALLEVIATING, OR PREVENTING DRY EYE BAUSCH & LOMB INCORPORATED (US) 2008-12-18 WO disclosed
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye BAUSCH & LOMB INCORPORATED 2008-12-11 US disclosed
US-7087637-B2 Substituted indoles which are PARP inhibitors BASF AG (DE) 2006-08-08 US disclosed
US-20040067949-A1 Substituted indoles which are parp inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-04-08 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 (2 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-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye PARP1, PARP2, PARP12 KDM4E 4023/4885ALDH1A1 712/4885GAA 1515/4885
US-20040067949-A1 Substituted indoles which are parp inhibitors PARP1, PARP2, PARP12 KDM4E 496/4885ALDH1A1 522/4885GAA 3541/4885

“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.