SCHEMBL5212608

SCHEMBL5212608

Cc1ccc(CNC(=O)c2ccnc(C(=O)NCc3ccc(C)cc3)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.64
KDM1A O60341 3/20 0.62
HDAC1 Q13547 3/20 0.62
POLB P06746 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.58
HTT P42858 3/20 0.56
LMNA P02545 2/20 0.56
KMT2A Q03164 2/20 0.55
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP3A4 P08684 2/20 0.51
MMP13 P45452 2/20 0.51
MMP2 P08253 1/20 0.51
STAT3 P40763 1/20 0.51
MAPK14 Q16539 1/20 0.51
ADORA3 P0DMS8 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA2B P29275 1/20 0.50

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
SCHEMBL5213342 0.86 RAB9A (0.60) SMN1; SMN2HTTLMNAKMT2AMAPT
SCHEMBL5215174 0.86 EPHX2 (0.52) SMN1; SMN2KDM1AHDAC1POLBL3MBTL1
SCHEMBL14256291 0.86 L3MBTL1 (0.67) SMN1; SMN2KDM1AHDAC1POLBL3MBTL1
SCHEMBL5213178 0.86 CYP1A2 (0.64) SMN1; SMN2POLBHTTLMNAKMT2A
SCHEMBL8358422 0.85 MMP13 (0.68) SMN1; SMN2L3MBTL1HTTLMNAALDH1A1
SCHEMBL5209755 0.85 SMN1; SMN2 (0.64) SMN1; SMN2L3MBTL1HTTLMNAGAA
SCHEMBL5212711 0.85 RAB9A (0.67) SMN1; SMN2KDM1AHDAC1POLBL3MBTL1
SCHEMBL9561684 0.84 KDM1A (0.53) SMN1; SMN2KDM1AHDAC1POLBL3MBTL1
SCHEMBL5214443 0.82 KDM1A (0.66) SMN1; SMN2KDM1AHDAC1L3MBTL1HTT
SCHEMBL8358374 0.82 MMP13 (0.71) SMN1; SMN2POLBL3MBTL1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020161000-A1 Pyridine matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY 2002-10-31 US 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
EP-1530475-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 Warner-Lambert Company LLC (US) 2005-05-18 EP 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
WO-2004006931-A2 PHARMACEUTICAL COMPOSTIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO 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
US-5260323-A 2,4- and 2,5-substituted pyridine-N-oxides, processes for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-11-09 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 (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 SMN1; SMN2 1550/4885KDM1A 665/4885HDAC1 203/4885
US-20040209922-A1 Pyridine matrix metalloproteinase inhibitors MMP13, MMP3, MMP11 SMN1; SMN2 2148/4885KDM1A 542/4885HDAC1 52/4885
US-20020161000-A1 Pyridine matrix metalloproteinase inhibitors MMP13, MMP3, MMP11 SMN1; SMN2 2102/4885KDM1A 484/4885HDAC1 58/4885
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 SMN1; SMN2 941/4885KDM1A 554/4885HDAC1 235/4885

“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.