SCHEMBL5072014

SCHEMBL5072014

Cc1ccc(-c2cc3c(C(N)=O)cccc3[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.55
RAB9A P51151 2/20 0.55
CTSV O60911 1/20 0.55
CTSL P07711 1/20 0.55
BTK Q06187 10/20 0.52
CDC7 O00311 2/20 0.51
HDAC11 Q96DB2 1/20 0.50
PLK4 O00444 1/20 0.49
CHEK1 O14757 1/20 0.49
DAPK3 O43293 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
PAK4 O96013 1/20 0.49
ABL1 P00519 1/20 0.49
PRKCG P05129 1/20 0.49
FYN P06241 1/20 0.49
CSF1R P07333 1/20 0.49
LYN P07948 1/20 0.49
RET P07949 1/20 0.49
PDGFRB P09619 1/20 0.49

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
SCHEMBL5077303 0.87 CDC7 (0.53) HPGDRAB9ABTKCDC7HDAC11
SCHEMBL5077305 0.87 PARP1 (0.53) HPGDCTSVCTSLBTKHDAC11
SCHEMBL5074225 0.87 BRD4 (0.54) HPGDRAB9ACTSVCTSLCDC7
SCHEMBL5074066 0.86 CTSV (0.55) HPGDCTSVCTSLBTKCDC7
SCHEMBL5076318 0.86 KMT2A (0.55) HPGDRAB9ABTKHDAC11CHEK1
SCHEMBL5072083 0.85 KDM4E (0.58) HPGDRAB9ACDC7HDAC11KDM4E
SCHEMBL5077361 0.85 HDAC11 (0.47) BTKCDC7HDAC11PRKAA1PKN2
SCHEMBL21160570 0.83 PARP1 (0.56) CTSVCTSLBTKCDC7HDAC11
SCHEMBL5071975 0.83 CDC7 (0.58) BTKCDC7PLK4PRKD3MAP4K4
SCHEMBL5072066 0.82 HDAC11 (0.73) BTKCDC7HDAC11PDGFRBPARP1

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 5 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
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 HPGD 193/4885RAB9A 4398/4885CTSV 383/4885
US-20040067949-A1 Substituted indoles which are parp inhibitors PARP1, PARP2, PARP12 HPGD 282/4885RAB9A 4458/4885CTSV 2225/4885

“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.