SCHEMBL6916343

SCHEMBL6916343

Cn1c(=O)n(Cc2cccc(F)c2)c(=O)c2cc(C#CCc3cccc(Cl)c3)sc21

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.43
KMT2A Q03164 1/20 0.41
POLB P06746 2/20 0.41
THRB P10828 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
PDE1B Q01064 1/20 0.40

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
SCHEMBL6470668 0.94 MAPT (0.44) MAPT
SCHEMBL6471574 0.93 MAPT (0.43) MAPT
SCHEMBL6732883 0.92 MAPT (0.47) MAPT
SCHEMBL6724637 0.91 MAPT (0.49) MAPTKMT2APOLBPDE1B
SCHEMBL6730586 0.90 MAPT (0.51) MAPTGRIN1GRIN2B
SCHEMBL6472380 0.90 MAPT (0.48) MAPT
SCHEMBL6917545 0.89 ALDH1A1 (0.47) MAPTKMT2A
SCHEMBL6730295 0.88 MAPT (0.44) MAPT
SCHEMBL6471804 0.87 MAPT (0.47) MAPTKMT2ATHRB
SCHEMBL6724870 0.87 MAPT (0.39) MAPT

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 MAPT 4800/4885KMT2A 1976/4885POLB 966/4885
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 MAPT 1774/4885KMT2A 1331/4885POLB 2804/4885

“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.