SCHEMBL6731246

SCHEMBL6731246

Cc1ccc(CNC(=O)c2cc3c(=O)n(Cc4ccccc4)c(=O)n(C)c3s2)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 10/20 0.67
SMN1; SMN2 Q16637 2/20 0.53
RXFP1 Q9HBX9 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TP53 P04637 2/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 1/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 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
SCHEMBL6245168 0.95 TRPA1 (0.62) TRPA1SMN1; SMN2RXFP1KDM4EMAPK1
SCHEMBL6257817 0.92 TRPA1 (0.66) TRPA1SMN1; SMN2RXFP1MEN1KMT2A
SCHEMBL6729908 0.91 TRPA1 (0.56) TRPA1SMN1; SMN2TP53MAPK1MAPT
SCHEMBL6477469 0.91 TRPA1 (0.56) TRPA1SMN1; SMN2RXFP1KDM4EMAPK1
SCHEMBL6254839 0.91 TRPA1 (0.56) TRPA1SMN1; SMN2RXFP1KDM4EMEN1
SCHEMBL6254102 0.89 TRPA1 (0.55) TRPA1SMN1; SMN2RXFP1TP53MAPT
SCHEMBL6255882 0.89 TRPA1 (0.54) TRPA1SMN1; SMN2RXFP1MAPK1MAPT
SCHEMBL6258174 0.88 TRPA1 (0.54) TRPA1SMN1; SMN2TP53MAPK1MAPT
SCHEMBL6476362 0.88 TRPA1 (0.55) TRPA1SMN1; SMN2KDM4EMAPK1MAPT
SCHEMBL6724994 0.88 TRPA1 (0.53) TRPA1SMN1; SMN2KDM4EPOLB

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 8 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-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
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 TRPA1 3888/4885SMN1; SMN2 2160/4885RXFP1 173/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 TRPA1 982/4885SMN1; SMN2 1550/4885RXFP1 1780/4885
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 TRPA1 671/4885SMN1; SMN2 941/4885RXFP1 1455/4885

“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.