SCHEMBL5076362

SCHEMBL5076362

NC(=O)CCNc1n[nH]c(=O)c2cccnc12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.45
RPS6KB1 P23443 4/20 0.42
KDM4E B2RXH2 2/20 0.40
AURKB Q96GD4 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
KAT2B Q92831 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
SYK P43405 1/20 0.37

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
SCHEMBL5076368 0.82 PARP1 (0.45) PARP1KAT2BSYK
SCHEMBL6327259 0.80 MTNR1A (0.44) PARP1AURKBALDH1A1MAPK1KAT2B
SCHEMBL6323949 0.78 ALDH1A1 (0.44) PARP1KDM4EAURKBALDH1A1MAPK1
SCHEMBL6473156 0.78 PARP1 (0.45) PARP1KDM4EAURKBALDH1A1KAT2B
SCHEMBL6448886 0.72 SYK (0.44) PARP1SYK
SCHEMBL5077387 0.71 KAT2B (0.35) PARP1KDM4EALDH1A1MAPK1KAT2B
SCHEMBL6328281 0.71 GAA (0.49) KDM4EALDH1A1MAPK1
SCHEMBL6326353 0.70 EPHX2 (0.41) AURKBMAPK1
SCHEMBL6327186 0.69 CD38 (0.41) PARP1RPS6KB1AURKBKAT2B
SCHEMBL6334650 0.68 ALDH1A1 (0.44) KDM4EAURKBALDH1A1MAPK1KAT2B

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 5 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-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 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-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye PARP1, PARP2, PARP12 PARP1 1/4885RPS6KB1 813/4885KDM4E 4023/4885

“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.