SCHEMBL6470779

SCHEMBL6470779

COc1ccc(CNC(=O)c2cc3c(=O)n(Cc4ccc(C(=N)NO)cc4)c(=O)n(C)c3s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
HDAC1 Q13547 5/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC11 Q96DB2 1/20 0.47
RXFP1 Q9HBX9 2/20 0.47
CHRM4 P08173 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
MMP13 P45452 1/20 0.44
TRPA1 O75762 4/20 0.44
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42

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
SCHEMBL6462371 0.90 MMP13 (0.52) MAPTHDAC1HDAC6HDAC8HDAC11
SCHEMBL7017377 0.90 MAPT (0.52) MAPTHDAC1HDAC6HDAC8HDAC11
SCHEMBL6254102 0.88 TRPA1 (0.55) MAPTRXFP1TP53TRPA1
SCHEMBL6257259 0.87 TRPA1 (0.54) MAPTHDAC1HDAC6RXFP1CHRM4
SCHEMBL6260961 0.84 MAPT (0.51) MAPTRXFP1CHRM4KDM4ETP53
SCHEMBL6253497 0.84 MAPT (0.53) MAPTRXFP1CHRM4KDM4ETP53
SCHEMBL6255559 0.84 MAPT (0.50) MAPTRXFP1CHRM4KDM4ETP53
SCHEMBL6468099 0.83 RXFP1 (0.53) MAPTRXFP1CHRM4KDM4ETP53
SCHEMBL6259503 0.82 MAPT (0.49) MAPTRXFP1CHRM4KDM4ETP53
SCHEMBL6256577 0.82 MAPT (0.54) MAPTHDAC1HDAC6RXFP1CHRM4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 EP claimed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US claimed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
US-6908875-B2 Organometallic compositions and polyisocyanate compositions containing them ACMA LIMITED (GB) 2005-06-21 US disclosed
EP-1530475-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
US-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US disclosed
WO-2004006931-A2 PHARMACEUTICAL COMPOSTIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
EP-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 EP disclosed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US disclosed
US-20020188047-A1 Organometallic compositions and polyisocyanate compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 2002-12-12 US disclosed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO 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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors MMP13, MMP3, MMP25 MAPT 4800/4885HDAC1 91/4885HDAC6 320/4885
US-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib MMP13, MMP11, MMP10 MAPT 1774/4885HDAC1 235/4885HDAC6 185/4885

“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.