SCHEMBL5072083

SCHEMBL5072083

COc1ccc(-c2cc3c(C(N)=O)cccc3[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.58
ALDH1A1 P00352 6/20 0.58
HPGD P15428 6/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
LMNA P02545 1/20 0.58
PARP1 P09874 6/20 0.57
PLA2G2A P14555 1/20 0.57
ALOX15 P16050 1/20 0.57
PTGS2 P35354 1/20 0.57
CDC7 O00311 2/20 0.54
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MAPT P10636 2/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAP2 P11137 1/20 0.47

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
SCHEMBL5071957 0.88 PARP1 (0.60) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL5072014 0.85 HPGD (0.55) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL5074225 0.83 BRD4 (0.54) KDM4EALDH1A1HPGDLMNAPARP1
SCHEMBL5077305 0.83 PARP1 (0.53) KDM4EALDH1A1HPGDLMNAPARP1
Dimethylamine SCHEMBL5073301 0.83 CTSV (0.46) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL5076318 0.82 KMT2A (0.55) KDM4EALDH1A1HPGDLMNAPARP1
SCHEMBL5074066 0.82 CTSV (0.55) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL5077361 0.82 HDAC11 (0.47) PARP1PLA2G2AALOX15PTGS2CDC7
SCHEMBL5073297 0.81 TNKS (0.56) KDM4EALDH1A1PARP1HDAC11
SCHEMBL5077425 0.80 ALDH1A1 (0.51) KDM4EALDH1A1HPGDPARP1PLA2G2A

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 712/4885HPGD 193/4885
US-20040067949-A1 Substituted indoles which are parp inhibitors PARP1, PARP2, PARP12 KDM4E 496/4885ALDH1A1 522/4885HPGD 282/4885

“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.