SCHEMBL5072005

SCHEMBL5072005

NC(=O)c1cccc2[nH]c(C3CCN(Cc4ccccc4)CC3)cc12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.50
HTR2A P28223 1/20 0.50
OPRK1 P41145 1/20 0.49
ACHE P22303 1/20 0.46
GAA P10253 1/20 0.46
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.45
MAPK14 Q16539 1/20 0.45
DRD3 P35462 1/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
JAK3 P52333 1/20 0.45

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
SCHEMBL5072030 0.83 PARP1 (0.62) PARP1DRD2
SCHEMBL6028534 0.83 PARP1 (0.48) PARP1HTR2AOPRK1ACHEGAA
SCHEMBL5076303 0.82 PARP1 (0.55) PARP1DRD2DRD4DRD3
SCHEMBL5072041 0.82 PARP1 (0.59) PARP1
SCHEMBL5074042 0.79 PARP1 (0.61) PARP1
SCHEMBL5074079 0.79 PARP1 (0.44) PARP1JAK2
SCHEMBL5074063 0.78 PARP1 (0.56) PARP1
SCHEMBL5077268 0.78 PARP1 (0.44) PARP1GAA
SCHEMBL5077269 0.78 PARP1 (0.44) PARP1GAA
SCHEMBL5621731 0.77 PARP1 (0.76) PARP1

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 PARP1 1/4885HTR2A 683/4885OPRK1 474/4885
US-20040067949-A1 Substituted indoles which are parp inhibitors PARP1, PARP2, PARP12 PARP1 1/4885HTR2A 113/4885OPRK1 863/4885

“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.