SCHEMBL6430172

SCHEMBL6430172

Cn1c(=O)n(Cc2ccc(C(=O)O)cc2)c(=O)c2cc(C(=O)NCc3ccc(Br)cc3)sc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 8/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
MMP13 P45452 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
STAT6 P42226 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
MAPK8 P45983 1/20 0.42
PPARG P37231 1/20 0.42
EGFR P00533 1/20 0.42
SRC P12931 1/20 0.42
HDAC1 Q13547 3/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 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
SCHEMBL6254839 0.92 TRPA1 (0.56) TRPA1SMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL7038032 0.91 TRPA1 (0.56) TRPA1SMN1; SMN2MMP13SLC22A8MAPT
SCHEMBL7021132 0.91 TRPA1 (0.57) TRPA1SMN1; SMN2MMP13SLC22A8MAPT
SCHEMBL6728256 0.90 TRPA1 (0.56) TRPA1SMN1; SMN2MMP13SLC22A8MAPT
SCHEMBL6728070 0.89 TRPA1 (0.46) TRPA1SMN1; SMN2MMP13SLC22A8MAPT
SCHEMBL6462371 0.89 MMP13 (0.52) TRPA1MMP13SLC22A8MAPTHDAC1
SCHEMBL6465573 0.88 TRPA1 (0.46) TRPA1SMN1; SMN2MMP13SLC22A8MAPK8
SCHEMBL7018282 0.88 TRPA1 (0.42) TRPA1SMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL7032080 0.87 CA2 (0.46) TRPA1SMN1; SMN2PPARGKDM4EGAA
SCHEMBL6245168 0.86 TRPA1 (0.62) TRPA1SMN1; SMN2MAPTALDH1A1LMNA

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
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US claimed
EP-1536786-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2005-06-08 EP disclosed
WO-2004006913-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB 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 (1 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 2160/4885MMP13 1/4885

“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.