SCHEMBL6463452

SCHEMBL6463452

COc1ccc(CNC(=O)c2cc3c(=O)n(CCNS(=O)(=O)c4ccc(Cl)cc4)c(=O)n(C)c3s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.55
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
RXFP1 Q9HBX9 1/20 0.45
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CHRM4 P08173 1/20 0.43
ABCB1 P08183 1/20 0.42
KDR P35968 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 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
SCHEMBL6233542 0.89 MAPT (0.56) MAPTKDM4EALDH1A1LMNARXFP1
SCHEMBL6471992 0.84 MAPT (0.58) MAPTKDM4EALDH1A1LMNARXFP1
SCHEMBL6255559 0.83 MAPT (0.50) MAPTKDM4EALDH1A1RXFP1KMT2A
SCHEMBL6259503 0.82 MAPT (0.49) MAPTKDM4EALDH1A1RXFP1KMT2A
SCHEMBL6257882 0.82 MAPT (0.49) MAPTKDM4EALDH1A1RXFP1TP53
SCHEMBL6256577 0.82 MAPT (0.54) MAPTKDM4EALDH1A1RXFP1TP53
SCHEMBL6476443 0.81 MAPT (0.49) MAPTKDM4EALDH1A1LMNARXFP1
SCHEMBL6255213 0.81 MAPT (0.50) MAPTKDM4EALDH1A1LMNARXFP1
SCHEMBL6239791 0.81 MAPT (0.48) MAPTKDM4EALDH1A1LMNARXFP1
SCHEMBL6254102 0.80 TRPA1 (0.55) MAPTRXFP1TP53SMN1; SMN2KDR

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 10 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
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-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US 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
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 (3 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 4800/4885KDM4E 1577/4885ALDH1A1 812/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MAPT 1345/4885KDM4E 476/4885ALDH1A1 1764/4885
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 1774/4885KDM4E 559/4885ALDH1A1 878/4885

“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.