SCHEMBL6729948

SCHEMBL6729948

Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)OCc3nc4ccccc4[nH]3)sc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 7/20 0.44
TPH2 Q8IWU9 7/20 0.44
MAPT P10636 8/20 0.43
KDM4E B2RXH2 7/20 0.42
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 5/20 0.42
HSD17B10 Q99714 5/20 0.42
CYP3A4 P08684 4/20 0.42
LMNA P02545 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.39
MCL1 Q07820 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL6532276 0.86 MAPT (0.45) TPH1TPH2MAPTKDM4EMEN1
SCHEMBL6736359 0.84 MMP13 (0.40) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL6475096 0.84 ADORA2B (0.42) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL6252686 0.84 MMP13 (0.53) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL6471550 0.83 KDM4E (0.41) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL6727653 0.81 MMP13 (0.42) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL6256050 0.81 TRPA1 (0.49) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL6472710 0.81 TRPA1 (0.49) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL6533924 0.81 MMP13 (0.49) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL6730796 0.81 MMP13 (0.49) MAPTKDM4EMEN1KMT2AALDH1A1

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
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
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 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 (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 TPH1 1125/4885TPH2 1366/4885MAPT 4800/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 TPH1 2292/4885TPH2 1105/4885MAPT 1345/4885
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 TPH1 1303/4885TPH2 624/4885MAPT 1774/4885

“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.