SCHEMBL7036944

SCHEMBL7036944

Cn1c(=O)n(Cc2ccc(C(=O)O)cc2)c(=O)c2cc(C#CCc3cccc(F)c3)sc21

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.55
SLC22A8 Q8TCC7 1/20 0.55
HDAC1 Q13547 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
MAPT P10636 4/20 0.40
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGER4 P35408 1/20 0.37

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
SCHEMBL6732883 0.92 MAPT (0.47) MMP13SLC22A8MAPTALDH1A1HTT
SCHEMBL7038900 0.91 MMP13 (0.56) MMP13SLC22A8HDAC1HDAC11HDAC8
SCHEMBL7032036 0.90 MMP13 (0.56) MMP13SLC22A8HDAC1HDAC8HDAC6
SCHEMBL6471037 0.90 MMP13 (0.56) MMP13SLC22A8HDAC1HDAC11HDAC8
SCHEMBL6470668 0.90 MAPT (0.44) MMP13SLC22A8MAPTALDH1A1HTT
SCHEMBL7022321 0.90 MMP13 (0.55) MMP13SLC22A8HDAC1HDAC11HDAC8
SCHEMBL7036821 0.88 MMP13 (0.54) MMP13SLC22A8HDAC1HDAC11HDAC8
SCHEMBL7034956 0.88 MMP13 (0.54) MMP13SLC22A8HDAC1HDAC8HDAC6
SCHEMBL6472380 0.87 MAPT (0.48) MMP13SLC22A8MAPTALDH1A1HTT
SCHEMBL6916343 0.86 MAPT (0.43) MAPTPOLB

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 2 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-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 (1 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 MMP13 1/4885SLC22A8 605/4885HDAC1 91/4885

“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.