SCHEMBL5077425

SCHEMBL5077425

NC(=O)c1cccc2[nH]c(-c3ccc4ccccc4c3)cc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
HDAC11 Q96DB2 1/20 0.45
CDC7 O00311 1/20 0.45
CHEK2 O96017 2/20 0.44
PARP1 P09874 6/20 0.44
DHODH Q02127 2/20 0.44
PTGER3 P43115 2/20 0.42
PLA2G2A P14555 1/20 0.41
ALOX15 P16050 1/20 0.41
PTGS2 P35354 1/20 0.41
BRD4 O60885 1/20 0.40
PKN1 Q16512 1/20 0.40
PKN2 Q16513 1/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL5074225 0.85 BRD4 (0.54) ALDH1A1KDM4EGAAHDAC11CDC7
SCHEMBL5074027 0.83 PARP1 (0.49) ALDH1A1KDM4EGAAHDAC11CDC7
SCHEMBL5074227 0.83 PI4K2A (0.47) ALDH1A1KDM4EGAAHDAC11PARP1
SCHEMBL5074093 0.83 KDM4E (0.53) ALDH1A1KDM4EGAAPARP1DHODH
SCHEMBL5077305 0.82 PARP1 (0.53) ALDH1A1KDM4EGAAHDAC11PARP1
SCHEMBL5077264 0.81 PARP1 (0.47) ALDH1A1KDM4EGAACHEK2PARP1
SCHEMBL5076318 0.81 KMT2A (0.55) ALDH1A1KDM4EHDAC11PARP1BRD4
SCHEMBL5074066 0.81 CTSV (0.55) ALDH1A1KDM4EHDAC11CDC7BRD4
SCHEMBL5072014 0.81 HPGD (0.55) ALDH1A1KDM4EHDAC11CDC7PARP1
SCHEMBL6028084 0.81 DHODH (0.59) ALDH1A1KDM4EGAAHDAC11CDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye BAUSCH & LOMB INCORPORATED 2008-12-11 US claimed
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 ALDH1A1 712/4885KDM4E 4023/4885GAA 1515/4885
US-20040067949-A1 Substituted indoles which are parp inhibitors PARP1, PARP2, PARP12 ALDH1A1 522/4885KDM4E 496/4885GAA 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.