SCHEMBL6512442

SCHEMBL6512442

COc1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(=O)N3C)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
MAPT P10636 5/20 0.48
RAB9A P51151 1/20 0.48
THRB P10828 2/20 0.46
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
DRD2 P14416 1/20 0.44
MMP13 P45452 2/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL6606492 0.89 LMNA (0.52) LMNAMAPTTHRBDRD2MMP13
SCHEMBL6605355 0.88 LMNA (0.51) LMNAMAPTRAB9ATHRBSMN1; SMN2
SCHEMBL6609494 0.87 LMNA (0.51) LMNAMAPTRAB9ATHRBSMN1; SMN2
SCHEMBL6607095 0.85 LMNA (0.49) LMNAMAPTRAB9ATHRBSMN1; SMN2
SCHEMBL6470981 0.84 LMNA (0.47) LMNAMAPTTHRBSMN1; SMN2
SCHEMBL6607569 0.82 LMNA (0.48) LMNAMAPTRAB9ATHRBSMN1; SMN2
SCHEMBL6609056 0.82 XDH (0.51) LMNAMAPTTHRBGAADRD2
SCHEMBL6607141 0.81 MMP13 (0.53) LMNAMAPTTHRBGAADRD2
SCHEMBL6512902 0.81 ALDH1A1 (0.53) MAPTGAASMN1; SMN2DRD2ALDH1A1
SCHEMBL6605189 0.81 MMP13 (0.60) LMNAMAPTTHRBMMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2005-01-06 US disclosed
EP-1368327-B1 BENZO THIADIAZINE MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2004-10-20 EP 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
EP-1368327-A1 BENZO THIADIAZINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 EP disclosed
US-6656932-B2 Treating osteoarthritis, rheumatoid arthritis, cancer, inflammation, and heart failure WARNER-LAMBERT COMPANY 2003-12-02 US disclosed
US-20030078276-A1 Matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2003-04-24 US disclosed
US-20020156069-A1 Benzo thiadiazine matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY 2002-10-24 US disclosed
WO-2002064578-A1 BENZO THIADIAZINE 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 (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 LMNA 2113/4885MAPT 2826/4885RAB9A 3944/4885
US-20020156069-A1 Benzo thiadiazine matrix metalloproteinase inhibitors MMP15, MMP13, MMP3 LMNA 3858/4885MAPT 4336/4885RAB9A 2412/4885
US-20030078276-A1 Matrix metalloproteinase inhibitors MMP13, MMP25, MMP12 LMNA 1627/4885MAPT 2607/4885RAB9A 3808/4885
US-20040034086-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP11, MMP13, MMP10 LMNA 4332/4885MAPT 1438/4885RAB9A 2332/4885
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 LMNA 4131/4885MAPT 1677/4885RAB9A 2580/4885

“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.