SCHEMBL5213407

SCHEMBL5213407

Cc1ccccc1CCNC(=O)c1ccnc(C(=O)NCCc2ccccc2C)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.56
MAPT P10636 5/20 0.54
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
THRB P10828 1/20 0.49
KDM5B Q9UGL1 2/20 0.49
KDM4E B2RXH2 1/20 0.49
KDM5A P29375 1/20 0.49
KDM5C P41229 1/20 0.49
LMNA P02545 1/20 0.48
PARP1 P09874 1/20 0.47
ALKBH2 Q6NS38 1/20 0.46
ALKBH3 Q96Q83 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
ANO1 Q5XXA6 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL5212725 0.87 HPGD (0.62) TP53MAPTKDM4ELMNAALKBH2
SCHEMBL5212649 0.86 KMT2A (0.51) KMT2AMEN1KDM5BKDM4EKDM5A
SCHEMBL5214716 0.85 HIF1A (0.58) KMT2AMEN1KDM5BKDM4EKDM5A
SCHEMBL5214225 0.84 KMT2A (0.69) TP53MAPTKMT2AMEN1KDM5B
SCHEMBL5215104 0.81 KDM5B (0.71) KMT2AMEN1KDM5BKDM4EKDM5A
SCHEMBL5212416 0.80 KMT2A (0.52) TP53MAPTKMT2AMEN1KDM5B
SCHEMBL5213342 0.79 RAB9A (0.60) TP53MAPTKMT2AMEN1KDM5B
SCHEMBL5210637 0.79 RAB9A (0.56) KMT2AMEN1KDM5BKDM4EKDM5A
SCHEMBL18774044 0.79 NPC1 (0.70) TP53MAPTKMT2AMEN1THRB
SCHEMBL8945334 0.77 POLB (0.54) MAPTKMT2AMEN1THRBKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7015237-B2 Pyridine matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2006-03-21 US claimed
US-20040209922-A1 Pyridine matrix metalloproteinase inhibitors BARVIAN NICOLE CHANTEL (US) 2004-10-21 US 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-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
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 (4 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-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 TP53 1698/4885MAPT 1345/4885KMT2A 1264/4885
US-20040209922-A1 Pyridine matrix metalloproteinase inhibitors MMP13, MMP3, MMP11 TP53 4761/4885MAPT 4764/4885KMT2A 1786/4885
US-20020161000-A1 Pyridine matrix metalloproteinase inhibitors MMP13, MMP3, MMP11 TP53 4789/4885MAPT 4761/4885KMT2A 1722/4885
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 TP53 2718/4885MAPT 1774/4885KMT2A 1331/4885

“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.