SCHEMBL6254595

SCHEMBL6254595

COc1ccc(CNC(=O)c2ccc3c(c2)c(=O)n(Cc2cccc(F)c2)c(=O)n3C)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
TP53 P04637 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPT P10636 6/20 0.54
EPHX2 P34913 3/20 0.53
PPARG P37231 3/20 0.53
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RXFP1 Q9HBX9 4/20 0.53
MMP13 P45452 2/20 0.49

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
SCHEMBL6258761 0.93 MAPT (0.58) POLBTP53SMN1; SMN2MAPTEPHX2
SCHEMBL7014327 0.92 MAPT (0.58) TP53SMN1; SMN2MAPTPPARGALDH1A1
SCHEMBL6255321 0.91 MAPT (0.54) POLBTP53SMN1; SMN2MAPTPPARG
SCHEMBL6246256 0.90 MAPT (0.58) SMN1; SMN2MAPTPPARGRXFP1MMP13
SCHEMBL6234634 0.90 MMP13 (0.58) POLBTP53SMN1; SMN2MAPTPPARG
SCHEMBL6437738 0.90 RXFP1 (0.53) POLBTP53SMN1; SMN2MAPTPPARG
SCHEMBL7625585 0.90 MMP13 (0.53) SMN1; SMN2MAPTPPARGRXFP1MMP13
SCHEMBL6252945 0.90 MAPT (0.51) TP53SMN1; SMN2MAPTPPARGALDH1A1
SCHEMBL6255332 0.88 MMP13 (0.63) TP53SMN1; SMN2MAPTPPARGALDH1A1
SCHEMBL6260402 0.88 KLKB1 (0.55) POLBSMN1; SMN2MAPTPPARGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368324-A1 QUINAZOLINES AS MMP-13 INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 EP claimed
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 US claimed
WO-2002064572-A1 QUINAZOLINES AS MMP-13 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
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
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
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-1368324-A1 QUINAZOLINES AS MMP-13 INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 EP disclosed
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 US disclosed
WO-2002064572-A1 QUINAZOLINES AS MMP-13 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-20020193377-A1 Quinazolines as MMP-13 inhibitors MMP13, MMP9, MMP3 POLB 1104/4885TP53 4351/4885SMN1; SMN2 3193/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 POLB 2444/4885TP53 1698/4885SMN1; SMN2 1550/4885
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 POLB 2804/4885TP53 2718/4885SMN1; SMN2 941/4885

“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.