SCHEMBL5213545

SCHEMBL5213545

O=C(NCc1ccc(Cl)cc1Cl)c1ccnc(C(=O)NCc2ccc(Cl)cc2Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.72
EPHX2 P34913 5/20 0.60
LMNA P02545 2/20 0.59
MAPK1 P28482 1/20 0.57
NLRP1 Q9C000 1/20 0.57
CASP1 P29466 1/20 0.52
ROCK2 O75116 2/20 0.50
ROCK1 Q13464 1/20 0.48
ANO1 Q5XXA6 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
DDR1 Q08345 2/20 0.47

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
SCHEMBL4189403 0.87 TSHR (0.61) TSHREPHX2LMNAMAPK1NLRP1
SCHEMBL4200007 0.86 TSHR (0.60) TSHREPHX2LMNAMAPK1NLRP1
SCHEMBL5210719 0.85 CYP1A2 (0.66) TSHRLMNAMAPK1ROCK2ANO1
SCHEMBL4194897 0.83 LMNA (0.56) TSHREPHX2LMNAMAPK1NLRP1
SCHEMBL5213178 0.82 CYP1A2 (0.64) TSHRLMNAMAPK1ANO1CYP1A2
SCHEMBL4185414 0.82 LMNA (0.58) TSHREPHX2LMNAMAPK1NLRP1
SCHEMBL5214984 0.80 CYP1A2 (0.50) TSHRLMNAROCK2ANO1CYP1A2
SCHEMBL5645070 0.79 LMNA (0.64) TSHREPHX2LMNAMAPK1NLRP1
SCHEMBL5214954 0.79 NPC1 (0.63) TSHRLMNAMAPK1ROCK2ANO1
SCHEMBL4178412 0.79 TSHR (0.52) TSHREPHX2LMNAMAPK1NLRP1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362033-B1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2007-04-04 EP claimed
US-7015237-B2 Pyridine matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2006-03-21 US claimed
US-20040209922-A1 Pyridine matrix metalloproteinase inhibitors BARVIAN NICOLE CHANTEL (US) 2004-10-21 US claimed
EP-1362033-A1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP claimed
US-20020161000-A1 Pyridine matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY 2002-10-31 US claimed
WO-2002064568-A1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
EP-1362033-B1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2007-04-04 EP disclosed
US-7015237-B2 Pyridine matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2006-03-21 US disclosed
US-6881743-B2 Pyridine matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-04-19 US disclosed
US-20040209922-A1 Pyridine matrix metalloproteinase inhibitors BARVIAN NICOLE CHANTEL (US) 2004-10-21 US disclosed
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-1362033-A1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP disclosed
US-20020161000-A1 Pyridine matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY 2002-10-31 US disclosed
WO-2002064568-A1 PYRIDINE 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 (4 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-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 TSHR 3857/4885EPHX2 1046/4885LMNA 4372/4885
US-20040209922-A1 Pyridine matrix metalloproteinase inhibitors MMP13, MMP3, MMP11 TSHR 3059/4885EPHX2 480/4885LMNA 1690/4885
US-20020161000-A1 Pyridine matrix metalloproteinase inhibitors MMP13, MMP3, MMP11 TSHR 3181/4885EPHX2 523/4885LMNA 1594/4885
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 TSHR 4247/4885EPHX2 810/4885LMNA 4296/4885

“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.