SCHEMBL5073378

SCHEMBL5073378

NC(=O)c1cccc2[nH]c(-c3cccc4ccccc34)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
GAA P10253 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CDC7 O00311 1/20 0.47
GSK3B P49841 2/20 0.45
ADK P55263 1/20 0.45
PARP1 P09874 8/20 0.44
ALPL P05186 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ATM Q13315 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
BRD4 O60885 1/20 0.42
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
KLKB1 P03952 1/20 0.41
PRSS1 P07477 1/20 0.41

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
SCHEMBL5074093 0.84 KDM4E (0.53) KDM4EGAAALDH1A1PARP1ATM
SCHEMBL5077279 0.82 ALDH1A1 (0.55) KDM4EGAAALDH1A1ATMBRD4
SCHEMBL6029052 0.82 DHODH (0.49) KDM4EGAAALDH1A1CDC7GSK3B
SCHEMBL5071999 0.81 CDC7 (0.48) KDM4EGAAALDH1A1CDC7GSK3B
SCHEMBL5074231 0.81 KDM4E (0.45) KDM4EALDH1A1CDC7GSK3BPARP1
SCHEMBL5077425 0.80 ALDH1A1 (0.51) KDM4EGAAALDH1A1CDC7PARP1
SCHEMBL2860216 0.78 KDR (0.54) KDM4EGAAALDH1A1PARP1POLB
SCHEMBL31310116 0.78 KDR (0.54) KDM4EGAAALDH1A1PARP1POLB
SCHEMBL5074225 0.77 BRD4 (0.54) KDM4EGAAALDH1A1CDC7PARP1
SCHEMBL30478743 0.77 PLAU (0.53) F2F10PLAUPLATKLKB1

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 4023/4885GAA 1515/4885ALDH1A1 712/4885
US-20040067949-A1 Substituted indoles which are parp inhibitors PARP1, PARP2, PARP12 KDM4E 496/4885GAA 3541/4885ALDH1A1 522/4885

“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.