SCHEMBL6211147

SCHEMBL6211147

CN(C)CCOC(=O)c1ccc(Cn2c(=O)c3cc(C(=O)NCc4ccc(F)cc4)ccc3n3cnnc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 4/20 0.43
RAD52 P43351 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MMP13 P45452 3/20 0.41
PPARG P37231 2/20 0.41
S1PR3 Q99500 1/20 0.40
RXFP1 Q9HBX9 2/20 0.39
RORC P51449 1/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 2/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL6212062 0.85 MMP13 (0.49) MAPTMMP13PPARGRXFP1RORC
SCHEMBL6214009 0.82 PPARG (0.46) MAPTMMP13PPARGRXFP1POLB
SCHEMBL6213923 0.82 MMP13 (0.54) MAPTMEN1GAAKMT2AMMP13
SCHEMBL6213708 0.80 MMP13 (0.52) MAPTMEN1GAAKMT2AMMP13
SCHEMBL6212954 0.79 MMP13 (0.60) MAPTMEN1KMT2AMMP13PPARG
SCHEMBL6212989 0.79 MMP13 (0.54) MAPTMEN1KMT2AMMP13PPARG
SCHEMBL6214058 0.78 MMP13 (0.54) MAPTMEN1GAAKMT2AMMP13
SCHEMBL6213121 0.77 MMP13 (0.49) MAPTGAAL3MBTL1MMP13PPARG
SCHEMBL6212605 0.77 PIK3CA (0.46) MAPTL3MBTL1MMP13RXFP1ALDH1A1
SCHEMBL7016303 0.77 MMP13 (0.48) TDP1MAPTMEN1GAAKMT2A

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 10 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-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
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 (5 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 TDP1 3342/4885MAPT 2826/4885RAD52 4782/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 TDP1 2876/4885MAPT 1345/4885RAD52 4882/4885
US-20040034086-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP11, MMP13, MMP10 TDP1 2202/4885MAPT 1438/4885RAD52 4883/4885
US-20020151558-A1 Triazolo compounds as MMP inhibitors MMP8, MMP13, MMP9 TDP1 3845/4885MAPT 4385/4885RAD52 4226/4885
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 TDP1 2344/4885MAPT 1677/4885RAD52 4879/4885

“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.