SCHEMBL6724733

SCHEMBL6724733

Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)OCCN3CCCC3)sc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.51
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 2/20 0.41
TSHR P16473 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
SLC29A1 Q99808 1/20 0.40
HTR4 Q13639 1/20 0.40
TRPA1 O75762 1/20 0.39
EEF2K O00418 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
SCHEMBL6736666 0.96 SRC (0.46) SRCALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL6736408 0.92 LMNA (0.48) SRCALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL6730103 0.87 TRPA1 (0.42) ALDH1A1KDM4EKMT2ASMN1; SMN2HPGD
SCHEMBL6526000 0.87 TSHR (0.43) ALDH1A1KDM4EKMT2ASMN1; SMN2HPGD
SCHEMBL6735464 0.86 KDM4E (0.44) ALDH1A1KDM4EKMT2ASMN1; SMN2HPGD
SCHEMBL6258669 0.85 TSHR (0.49) ALDH1A1KDM4EKMT2ASMN1; SMN2TSHR
SCHEMBL6734162 0.85 TRPA1 (0.41) ALDH1A1KDM4EKMT2ASMN1; SMN2TSHR
SCHEMBL6252686 0.85 MMP13 (0.53) ALDH1A1KDM4EKMT2ASMN1; SMN2HPGD
SCHEMBL6529705 0.85 TSHR (0.53) ALDH1A1KDM4EKMT2ASMN1; SMN2TSHR
SCHEMBL6735925 0.85 GLA (0.49) ALDH1A1KDM4EKMT2ASMN1; SMN2HPGD

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 SRC 3165/4885ALDH1A1 812/4885KDM4E 1577/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 SRC 543/4885ALDH1A1 1764/4885KDM4E 476/4885
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 SRC 750/4885ALDH1A1 878/4885KDM4E 559/4885

“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.