SCHEMBL5212964

SCHEMBL5212964

COc1ccc(CNC(=O)c2ccnc(C(=O)NCc3ccc(OC)cc3OC)c2)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
TSHR P16473 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
MAPT P10636 2/20 0.56
GAA P10253 2/20 0.55
HPGD P15428 2/20 0.55
TP53 P04637 4/20 0.53
LMNA P02545 4/20 0.53
ROCK2 O75116 1/20 0.53
TAS1R3 Q7RTX0 2/20 0.53
TAS1R1 Q7RTX1 2/20 0.53
NAMPT P43490 1/20 0.53
PKM P14618 1/20 0.52
HTT P42858 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
MAOB P27338 1/20 0.51
ABCB1 P08183 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL23985268 0.87 ALDH1A1 (0.64) ALDH1A1TSHRNPSR1MAPTGAA
SCHEMBL30305464 0.87 ALDH1A1 (0.64) ALDH1A1TSHRNPSR1MAPTGAA
SCHEMBL7093597 0.86 ALDH1A1 (0.52) ALDH1A1TSHRNPSR1MAPTGAA
SCHEMBL5212513 0.85 POLB (0.68) ALDH1A1MAPTGAAHPGDTP53
SCHEMBL5212711 0.83 RAB9A (0.67) ALDH1A1MAPTGAAHPGDTP53
SCHEMBL5329065 0.82 LMNA (0.60) ALDH1A1TSHRNPSR1MAPTGAA
SCHEMBL5213922 0.80 MMP13 (0.54) MAPTHPGDTP53LMNAROCK2
SCHEMBL5210350 0.80 ROCK2 (0.67) MAPTGAAHPGDTP53ROCK2
SCHEMBL8759043 0.80 HPGD (0.70) ALDH1A1TSHRNPSR1MAPTGAA
SCHEMBL5209384 0.80 MMP13 (0.72) HPGDLMNAROCK2

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 15 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
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 ALDH1A1 1764/4885TSHR 3857/4885NPSR1 4565/4885
US-20040209922-A1 Pyridine matrix metalloproteinase inhibitors MMP13, MMP3, MMP11 ALDH1A1 544/4885TSHR 3059/4885NPSR1 696/4885
US-20020161000-A1 Pyridine matrix metalloproteinase inhibitors MMP13, MMP3, MMP11 ALDH1A1 571/4885TSHR 3181/4885NPSR1 684/4885
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 ALDH1A1 878/4885TSHR 4247/4885NPSR1 4544/4885

“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.