SCHEMBL5072066

SCHEMBL5072066

NC(=O)c1cccc2[nH]c(-c3ccc(C(F)(F)F)cc3)cc12

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 2/20 0.73
PARP1 P09874 6/20 0.57
TNKS O95271 1/20 0.48
PDGFRB P09619 1/20 0.44
KDR P35968 1/20 0.44
CASP1 P29466 1/20 0.43
DHODH Q02127 1/20 0.42
MAP2K4 P45985 1/20 0.41
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
AURKB Q96GD4 1/20 0.41
BTK Q06187 2/20 0.40
CDC7 O00311 2/20 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
SCHEMBL5074291 0.88 PARP1 (0.60) HDAC11PARP1PDGFRBKDRAURKA
SCHEMBL5074066 0.85 CTSV (0.55) HDAC11TNKSBTKCDC7
SCHEMBL30039343 0.85 HDAC11 (1.00) HDAC11PARP1TNKSPDGFRBKDR
SCHEMBL21500502 0.85 HDAC11 (1.00) HDAC11PARP1TNKSPDGFRBKDR
SCHEMBL5077305 0.83 PARP1 (0.53) HDAC11PARP1DHODHBTK
SCHEMBL5074225 0.83 BRD4 (0.54) HDAC11PARP1DHODHCDC7
SCHEMBL5071975 0.82 CDC7 (0.58) PARP1RPS6KB1AURKBBTKCDC7
SCHEMBL5072014 0.82 HPGD (0.55) HDAC11PARP1PDGFRBBTKCDC7
SCHEMBL5076318 0.82 KMT2A (0.55) HDAC11PARP1CASP1BTK
SCHEMBL21160570 0.80 PARP1 (0.56) HDAC11PARP1BTKCDC7

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 HDAC11 173/4885PARP1 1/4885TNKS 81/4885
US-20040067949-A1 Substituted indoles which are parp inhibitors PARP1, PARP2, PARP12 HDAC11 1186/4885PARP1 1/4885TNKS 14/4885

“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.