SCHEMBL5074231

SCHEMBL5074231

NC(=O)c1cccc2[nH]c(-c3ccnc4ccccc34)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HDAC6 Q9UBN7 1/20 0.42
CDC7 O00311 1/20 0.41
NUDT1 P36639 1/20 0.41
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AURKA O14965 1/20 0.40
TTK P33981 1/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
PARP1 P09874 4/20 0.40
KDM5A P29375 1/20 0.39

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
SCHEMBL6028896 0.82 CDK5 (0.45) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL5073378 0.81 KDM4E (0.49) KDM4EALDH1A1CDC7GSK3BCDK5
SCHEMBL5071999 0.78 CDC7 (0.48) KDM4ENPC1RAB9AALDH1A1MAPK1
SCHEMBL5077279 0.77 ALDH1A1 (0.55) KDM4EALDH1A1MAPT
SCHEMBL5074121 0.77 PARP1 (0.53) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL27991327 0.76 NUDT1 (0.61) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL5076325 0.76 ADORA3 (0.44) KDM4ENPC1RAB9AALDH1A1CDC7
SCHEMBL27658712 0.76 CSNK1A1 (0.47) KDM4ERAB9ACDC7NUDT1GSK3B
SCHEMBL5077264 0.75 PARP1 (0.47) KDM4EALDH1A1PARP1
SCHEMBL5414813 0.74 RAB9A (0.59) KDM4ENPC1RAB9AALDH1A1HPGD

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 4023/4885NPC1 2526/4885RAB9A 4398/4885
US-20040067949-A1 Substituted indoles which are parp inhibitors PARP1, PARP2, PARP12 KDM4E 496/4885NPC1 4471/4885RAB9A 4458/4885

“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.