SCHEMBL6724637

SCHEMBL6724637

Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C#CCc3cccc(Cl)c3)sc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
MMP13 P45452 2/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
KMT2A Q03164 1/20 0.42
PDE1B Q01064 2/20 0.41
TP53 P04637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
POLB P06746 1/20 0.40
RGS4 P49798 1/20 0.40
RGS8 P57771 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
SCHEMBL7032036 0.92 MMP13 (0.56) MAPTMMP13SLC22A8KMT2ATP53
SCHEMBL6916343 0.91 MAPT (0.43) MAPTKMT2APDE1BPOLB
SCHEMBL6727824 0.91 MMP13 (0.51) MAPTMMP13SLC22A8PDE1BTP53
SCHEMBL6731016 0.90 ALDH1A1 (0.46) MAPTMMP13SLC22A8KMT2ATP53
SCHEMBL6735953 0.90 PARG (0.41) MAPTMMP13SLC22A8KMT2APDE1B
SCHEMBL6732883 0.89 MAPT (0.47) MAPTMMP13SLC22A8TP53ALDH1A1
SCHEMBL6256399 0.89 ALDH1A1 (0.50) MAPTMMP13SLC22A8KMT2AALDH1A1
SCHEMBL6470701 0.87 MMP13 (0.44) MAPTMMP13SLC22A8KMT2ATP53
SCHEMBL6724551 0.87 ALDH1A1 (0.48) MAPTMMP13SLC22A8KMT2ATP53
SCHEMBL6734552 0.87 MMP13 (0.51) MAPTMMP13SLC22A8KMT2APDE1B

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 4 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-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-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 (3 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 4800/4885MMP13 1/4885SLC22A8 605/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MAPT 1345/4885MMP13 1/4885SLC22A8 159/4885
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 1774/4885MMP13 1/4885SLC22A8 123/4885

“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.