SCHEMBL6214959

SCHEMBL6214959

N#Cc1ccc(Cn2c(=O)c3cc(C(=O)NCc4ccc5c(c4)OCO5)ccc3n3cnnc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.48
POLB P06746 4/20 0.48
MAPT P10636 7/20 0.47
PPARG P37231 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 2/20 0.45
THRB P10828 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
MMP13 P45452 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL6211828 0.91 PPARG (0.52) ESR1POLBMAPTPPARGALDH1A1
SCHEMBL6210665 0.91 PPARG (0.54) ESR1POLBMAPTPPARGALDH1A1
SCHEMBL6212239 0.90 POLB (0.50) ESR1POLBMAPTPPARGALDH1A1
SCHEMBL6214403 0.89 ESR1 (0.54) ESR1POLBMAPTPPARGMEN1
SCHEMBL6213339 0.86 PIK3CA (0.44) ALDH1A1THRBMMP13
SCHEMBL6213391 0.78 PPARG (0.54) ESR1POLBMAPTPPARGALDH1A1
SCHEMBL6212062 0.76 MMP13 (0.49) POLBMAPTPPARGMMP13KDM4E
SCHEMBL6213121 0.76 MMP13 (0.49) MAPTPPARGALDH1A1THRBL3MBTL1
SCHEMBL6212605 0.75 PIK3CA (0.46) MAPTALDH1A1THRBL3MBTL1MAPK1
SCHEMBL6213639 0.75 ALDH1A1 (0.52) MAPTALDH1A1TP53L3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362048-B1 TRIAZOLO COMPOUNDS AS MMP INHIBITORS WARNER LAMBERT CO (US) 2005-05-04 EP claimed
US-6849637-B2 Triazolo compounds as MMP inhibitors WARNER-LAMBERT COMPANY (US) 2005-02-01 US claimed
US-20020151558-A1 Triazolo compounds as MMP inhibitors ANDRIANJARA CHARLES (FR) 2002-10-17 US claimed
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
EP-1362048-B1 TRIAZOLO COMPOUNDS AS MMP INHIBITORS WARNER LAMBERT CO (US) 2005-05-04 EP disclosed
US-6849637-B2 Triazolo compounds as MMP inhibitors WARNER-LAMBERT COMPANY (US) 2005-02-01 US disclosed
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2005-01-06 US disclosed
US-20040034086-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-02-19 US disclosed
US-20040034085-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-02-19 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
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
US-20030078276-A1 Matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2003-04-24 US disclosed
US-20020151558-A1 Triazolo compounds as MMP inhibitors ANDRIANJARA CHARLES (FR) 2002-10-17 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 (6 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-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 ESR1 848/4885POLB 3500/4885MAPT 2826/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 ESR1 3851/4885POLB 2444/4885MAPT 1345/4885
US-20030078276-A1 Matrix metalloproteinase inhibitors MMP13, MMP25, MMP12 ESR1 935/4885POLB 3286/4885MAPT 2607/4885
US-20040034086-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP11, MMP13, MMP10 ESR1 3546/4885POLB 2653/4885MAPT 1438/4885
US-20020151558-A1 Triazolo compounds as MMP inhibitors MMP8, MMP13, MMP9 ESR1 4128/4885POLB 1942/4885MAPT 4385/4885
US-20040034085-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib MMP11, MMP13, MMP10 ESR1 3956/4885POLB 3022/4885MAPT 1677/4885

“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.