SCHEMBL6231875

SCHEMBL6231875

COC(=O)c1ccccc1-c1ccc(C(C)n2c(=O)[nH]c3ccc(C(=O)NCc4ccc(OC)cc4)cc3c2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PPARG P37231 8/20 0.49
MAPT P10636 2/20 0.46
DRD2 P14416 3/20 0.45
BRD4 O60885 1/20 0.45
HDAC1 Q13547 1/20 0.45
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
MMP13 P45452 1/20 0.41
POLB P06746 1/20 0.41
DRD3 P35462 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
SCHEMBL6237471 0.94 PPARG (0.57) MEN1KMT2APPARGMAPTNPC1
SCHEMBL7019551 0.94 PPARG (0.57) MEN1KMT2APPARGMAPTNPC1
SCHEMBL6218995 0.89 MEN1 (0.54) MEN1KMT2AMAPTDRD2ALDH1A1
SCHEMBL6433406 0.88 MEN1 (0.50) MEN1KMT2AMAPTDRD2ALDH1A1
SCHEMBL6727454 0.87 MEN1 (0.50) MEN1KMT2AMAPTDRD2ALDH1A1
SCHEMBL6233925 0.86 MEN1 (0.51) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL6239501 0.86 MEN1 (0.56) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL6234330 0.85 MEN1 (0.49) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL7624469 0.85 MEN1 (0.50) MEN1KMT2AMAPTDRD2ALDH1A1
SCHEMBL6234083 0.84 MEN1 (0.53) MEN1KMT2AMAPTDRD2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 US claimed
EP-1536786-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2005-06-08 EP disclosed
EP-1531904-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB Warner-Lambert Company LLC (US) 2005-05-25 EP disclosed
WO-2004007024-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
WO-2004006913-A1 COMBINATION OF AN ALLOSTERIC 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 (1 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 MEN1 4715/4885KMT2A 3258/4885PPARG 3301/4885

“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.