SCHEMBL6730775

SCHEMBL6730775

Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)OCc3cccc(Br)c3)sc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
HIF1A Q16665 1/20 0.46
MMP13 P45452 1/20 0.45
MAPK1 P28482 1/20 0.44
TSHR P16473 2/20 0.44
MAPT P10636 1/20 0.44
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP12 P39900 1/20 0.43
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPK8 P45983 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
LMNA P02545 3/20 0.40
PRNP P04156 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL6252686 0.91 MMP13 (0.53) ALDH1A1HPGDMMP13TSHRMAPT
SCHEMBL6477107 0.90 MAPT (0.47) MMP13MAPTMMP1MMP2MMP9
SCHEMBL6724991 0.89 MMP13 (0.45) ALDH1A1HPGDMMP13TSHRMAPT
SCHEMBL6732627 0.88 ALDH1A1 (0.47) ALDH1A1MMP13MAPK1MAPTMMP1
SCHEMBL6733090 0.88 MMP1 (0.48) ALDH1A1HPGDMMP13TSHRMAPT
SCHEMBL6533924 0.87 MMP13 (0.49) ALDH1A1HPGDMMP13TSHRMAPT
SCHEMBL6730796 0.87 MMP13 (0.49) ALDH1A1HPGDMMP13TSHRMAPT
SCHEMBL6472521 0.87 MMP13 (0.45) ALDH1A1HIF1AMMP13MAPTKMT2A
SCHEMBL6256668 0.87 MAPT (0.48) ALDH1A1MMP13TSHRMAPTMMP1
SCHEMBL6476942 0.87 MMP13 (0.48) HIF1AMMP13MAPTKMT2AMEN1

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 ALDH1A1 812/4885HPGD 193/4885HIF1A 2757/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 ALDH1A1 1764/4885HPGD 247/4885HIF1A 3489/4885
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 ALDH1A1 878/4885HPGD 148/4885HIF1A 2939/4885

“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.