SCHEMBL6916684

SCHEMBL6916684

CCN(C(=O)c1cc2c(=O)n(C(C)c3ccc(C(=O)O)cc3)c(=O)[nH]c2s1)c1ccncc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.36
MAPT P10636 5/20 0.34
RXFP1 Q9HBX9 1/20 0.33
MAPK1 P28482 2/20 0.33
MAPK14 Q16539 1/20 0.33
HTT P42858 1/20 0.31
MLYCD O95822 1/20 0.31
UCHL1 P09936 1/20 0.31
FYN P06241 1/20 0.30
TP53 P04637 1/20 0.30
THRB P10828 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL6233970 0.80 TRPA1 (0.41) RXFP1SMN1; SMN2
SCHEMBL6465586 0.79 PTAFR (0.41) MAPTRXFP1MAPK1TP53SMN1; SMN2
SCHEMBL6913377 0.77 TP53 (0.35) NPSR1MAPTRXFP1MAPK1FYN
SCHEMBL6471589 0.76 MMP13 (0.35) MAPK1
SCHEMBL6238348 0.74 DCLK1 (0.47) MAPTRXFP1MAPK1HTTSMN1; SMN2
SCHEMBL6233697 0.72 RXFP1 (0.42) MAPTRXFP1SMN1; SMN2POLB
SCHEMBL6236005 0.72 B3GNT2 (0.46) MAPTRXFP1MAPK1SMN1; SMN2
SCHEMBL6232987 0.71 MAPT (0.48) MAPTRXFP1SMN1; SMN2
SCHEMBL6462193 0.70 MLYCD (0.40) MLYCD
SCHEMBL6238762 0.70 EPHX2 (0.41) RXFP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US claimed
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
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 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 (2 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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors MMP13, MMP3, MMP25 NPSR1 404/4885MAPT 4800/4885RXFP1 173/4885
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 NPSR1 4544/4885MAPT 1774/4885RXFP1 1455/4885

“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.