SCHEMBL6231298

SCHEMBL6231298

COC(=O)c1ccc(C(C)n2c(=O)[nH]c3ccc(C(=O)NCc4ccc(F)cc4)cc3c2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.50
POLB P06746 1/20 0.50
B3GNT2 Q9NY97 1/20 0.47
USP2 O75604 1/20 0.45
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
TP53 P04637 1/20 0.44
BACE1 P56817 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MDM2 Q00987 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
DRD2 P14416 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RORC P51449 1/20 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
SCHEMBL6218995 0.92 MEN1 (0.54) B3GNT2USP2MAPTSMN1; SMN2KDM4E
SCHEMBL6236097 0.91 RXFP1 (0.51) RXFP1POLBB3GNT2USP2MAPT
SCHEMBL7653596 0.91 TRPV1 (0.47) B3GNT2MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL7021536 0.91 B3GNT2 (0.45) RXFP1POLBB3GNT2MAPTSMN1; SMN2
SCHEMBL6233923 0.90 NAMPT (0.46) RXFP1POLBB3GNT2MAPTSMN1; SMN2
SCHEMBL6237603 0.86 MMP13 (0.50) USP2MAPTALDH1A1GAAMEN1
SCHEMBL6260663 0.86 ESR1 (0.56) RXFP1MAPTKDM4EALDH1A1GAA
SCHEMBL7018737 0.86 ADORA3 (0.42) RXFP1POLBB3GNT2MAPTSMN1; SMN2
SCHEMBL6239501 0.85 MEN1 (0.56) B3GNT2USP2MAPTSMN1; SMN2KDM4E
SCHEMBL7624469 0.85 MEN1 (0.50) POLBB3GNT2USP2MAPTSMN1; SMN2

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 10 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-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
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 RXFP1 83/4885POLB 1104/4885B3GNT2 1313/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 RXFP1 1780/4885POLB 2444/4885B3GNT2 2950/4885
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 RXFP1 1455/4885POLB 2804/4885B3GNT2 3308/4885

“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.