SCHEMBL5212692

SCHEMBL5212692

COc1ccc2[nH]cc(CCNC(=O)c3ccnc(C(=O)NCCc4c[nH]c5ccc(OC)cc45)c3)c2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.74
POLB P06746 1/20 0.74
TRPV1 Q8NER1 9/20 0.66
MTNR1A P48039 5/20 0.66
MEN1 O00255 3/20 0.65
MTNR1B P49286 3/20 0.65
KDM4E B2RXH2 1/20 0.65
ALDH1A1 P00352 1/20 0.65
CYP1A1 P04798 1/20 0.65
MPO P05164 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
HTR1A P08908 1/20 0.65
CYP2D6 P10635 1/20 0.65
HPGD P15428 1/20 0.65
NQO2 P16083 1/20 0.65
HTR2B P41595 1/20 0.65
RAB9A P51151 1/20 0.65
BLM P54132 1/20 0.65
PMP22 Q01453 1/20 0.65

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
SCHEMBL6919747 0.83 TRPV1 (0.88) KMT2APOLBTRPV1MTNR1AMEN1
SCHEMBL5209374 0.83 SMN1; SMN2 (0.71) KMT2APOLBTRPV1MEN1ALDH1A1
SCHEMBL32678271 0.81 TRPV1 (0.70) KMT2APOLBTRPV1MTNR1AMEN1
SCHEMBL32678273 0.81 TRPV1 (0.70) KMT2APOLBTRPV1MTNR1AMEN1
SCHEMBL28663007 0.81 KMT2A (0.87) KMT2APOLBTRPV1MTNR1AMEN1
SCHEMBL798092 0.81 KMT2A (0.80) KMT2APOLBTRPV1MTNR1AMEN1
SCHEMBL32678333 0.81 KMT2A (0.60) KMT2APOLBTRPV1MTNR1AMEN1
SCHEMBL26434358 0.81 KMT2A (0.69) KMT2APOLBTRPV1MTNR1AMEN1
SCHEMBL9936354 0.80 TRPV1 (1.00) KMT2APOLBTRPV1MTNR1AMEN1
SCHEMBL23644935 0.79 MTNR1A (0.83) KMT2APOLBTRPV1MTNR1AMEN1

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-1362033-B1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2007-04-04 EP 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
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-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
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 (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-20040209922-A1 Pyridine matrix metalloproteinase inhibitors MMP13, MMP3, MMP11 KMT2A 1786/4885POLB 2373/4885TRPV1 3231/4885
US-20020161000-A1 Pyridine matrix metalloproteinase inhibitors MMP13, MMP3, MMP11 KMT2A 1722/4885POLB 2459/4885TRPV1 3214/4885
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 KMT2A 1331/4885POLB 2804/4885TRPV1 232/4885

“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.