SCHEMBL5074291

SCHEMBL5074291

NC(=O)c1cccc2[nH]c(-c3cccc(C(F)(F)F)c3)cc12

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.60
HDAC11 Q96DB2 1/20 0.58
PDGFRB P09619 1/20 0.46
KDR P35968 1/20 0.46
KIF11 P52732 1/20 0.44
KDM4E B2RXH2 1/20 0.43
SCN2A Q99250 2/20 0.43
JAK2 O60674 1/20 0.42
SLC9A1 P19634 2/20 0.42
TDO2 P48775 1/20 0.42
RORC P51449 1/20 0.41
RORB Q92753 1/20 0.41
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41

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
SCHEMBL5072066 0.88 HDAC11 (0.73) PARP1HDAC11PDGFRBKDRAURKA
SCHEMBL5074311 0.83 HPGD (0.58) PARP1HDAC11KDM4E
SCHEMBL5074027 0.81 PARP1 (0.49) PARP1HDAC11KDM4E
SCHEMBL5076477 0.81 PARP1 (0.56) PARP1HDAC11KDM4E
SCHEMBL5077337 0.80 PARP1 (0.57) PARP1HDAC11JAK2
SCHEMBL5077303 0.80 CDC7 (0.53) PARP1HDAC11PDGFRBKDRKDM4E
SCHEMBL4342755 0.80 PARP1 (0.54) PARP1KIF11KDM4ESCN2AJAK2
SCHEMBL5074225 0.80 BRD4 (0.54) PARP1HDAC11KDM4E
SCHEMBL6029417 0.80 HDAC11 (0.58) PARP1HDAC11KIF11KDM4ESCN2A
SCHEMBL5074066 0.79 CTSV (0.55) HDAC11KDM4EJAK2

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 1/4885HDAC11 173/4885PDGFRB 727/4885
US-20040067949-A1 Substituted indoles which are parp inhibitors PARP1, PARP2, PARP12 PARP1 1/4885HDAC11 1186/4885PDGFRB 524/4885

“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.