SCHEMBL5212571

SCHEMBL5212571

O=C(NCc1ccc(F)c(Cl)c1)c1ccnc(C(=O)NCc2ccc(F)c(Cl)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC3 O15379 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
WDR5 P61964 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PPARG P37231 1/20 0.47
MAPK1 P28482 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM1A O60341 1/20 0.45
SCN3A Q9NY46 1/20 0.45
CNR2 P34972 1/20 0.45
PTGER4 P35408 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL5212732 0.88 EPHX2 (0.57) HDAC1HDAC6WDR5CYP1A2CYP2C9
SCHEMBL5213178 0.85 CYP1A2 (0.64) MMP13CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL6479481 0.84 MMP13 (0.71) MMP13HDAC1HDAC3HDAC2HDAC6
SCHEMBL7141277 0.83 ALK (0.42) MMP13HDAC1HDAC3HDAC2HDAC6
SCHEMBL5214326 0.83 MMP13 (0.50) MMP13HDAC1L3MBTL1KDM1ALMNA
SCHEMBL5214984 0.83 CYP1A2 (0.50) MMP13WDR5CYP1A2CYP2C9HPGD
SCHEMBL14256291 0.83 L3MBTL1 (0.67) MMP13HDAC1L3MBTL1KDM1ALMNA
SCHEMBL5214954 0.82 NPC1 (0.63) MMP13HDAC1HDAC3HDAC2HDAC6
SCHEMBL8348565 0.82 MMP13 (0.61) MMP13HDAC1HDAC3HDAC2HDAC6
SCHEMBL8357432 0.81 MMP13 (0.67) MMP13HDAC1HDAC3HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1530467-A2 COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB Warner-Lambert Company LLC (US) 2005-05-18 EP 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-2004006912-A2 COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO 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

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 MMP13 1/4885HDAC1 203/4885HDAC3 56/4885
US-20040209922-A1 Pyridine matrix metalloproteinase inhibitors MMP13, MMP3, MMP11 MMP13 1/4885HDAC1 52/4885HDAC3 20/4885
US-20020161000-A1 Pyridine matrix metalloproteinase inhibitors MMP13, MMP3, MMP11 MMP13 1/4885HDAC1 58/4885HDAC3 21/4885
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 MMP13 1/4885HDAC1 235/4885HDAC3 128/4885

“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.