SCHEMBL6236040

SCHEMBL6236040

COc1ccc(CNC(=O)c2ccc3[nH]c(=O)n(C(C)c4ccc(C(=O)OC(C)(C)C(C)N(C)C)cc4)c(=O)c3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 3/20 0.45
B3GNT2 Q9NY97 1/20 0.44
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MMP13 P45452 2/20 0.41
ESR1 P03372 1/20 0.41
KDM4E B2RXH2 2/20 0.40
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 4/20 0.40
BACE1 P56817 1/20 0.40
GAA P10253 2/20 0.39
USP2 O75604 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL7622527 0.89 MAPT (0.46) MEN1KMT2AMAPTB3GNT2ALDH1A1
SCHEMBL6218995 0.88 MEN1 (0.54) MEN1KMT2AMAPTB3GNT2ALDH1A1
SCHEMBL6235228 0.85 MEN1 (0.46) MEN1KMT2AMAPTB3GNT2ALDH1A1
SCHEMBL6239501 0.85 MEN1 (0.56) MEN1KMT2AMAPTB3GNT2ALDH1A1
SCHEMBL6236683 0.85 MEN1 (0.47) MEN1KMT2AMAPTB3GNT2ALDH1A1
SCHEMBL7624469 0.85 MEN1 (0.50) MEN1KMT2AMAPTB3GNT2ALDH1A1
SCHEMBL6466931 0.84 MEN1 (0.54) MEN1KMT2AMAPTB3GNT2ALDH1A1
SCHEMBL6235392 0.84 MEN1 (0.54) MEN1KMT2AMAPTB3GNT2ALDH1A1
SCHEMBL6236802 0.83 MAPT (0.48) MEN1KMT2AMAPTB3GNT2ALDH1A1
SCHEMBL7653596 0.82 TRPV1 (0.47) MEN1KMT2AMAPTB3GNT2ALDH1A1

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
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-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
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 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 (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 3258/4885MAPT 4823/4885

“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.