SCHEMBL6488181

SCHEMBL6488181

Cc1cc(Cc2ccc(C(=O)O)cc2)c(=O)n2c1CC(C(=O)NCc1ccccc1)=N2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.44
PHGDH O43175 1/20 0.42
EPHX2 P34913 2/20 0.41
MMP13 P45452 3/20 0.41
PTGER4 P35408 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
EGFR P00533 1/20 0.40
SRC P12931 1/20 0.40
KLKB1 P03952 1/20 0.39
KLK1 P06870 1/20 0.39
RXRA P19793 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL6817760 0.89 MAPT (0.38) NR1H4PHGDHMMP13PTGER4KLKB1
SCHEMBL6817764 0.82 MAPT (0.37) KLKB1KLK1LMNAMAPT
SCHEMBL6486746 0.80 NR1H4 (0.45) NR1H4PHGDHEPHX2MMP13PTGER4
SCHEMBL6486967 0.77 RXRA (0.38) MMP13RXRALMNA
SCHEMBL6476549 0.74 NR1H4 (0.44) NR1H4PHGDHEPHX2MMP13PTGER4
SCHEMBL6289011 0.74 PHGDH (0.44) NR1H4PHGDHEPHX2MMP13PTGER4
SCHEMBL6483747 0.74 NR1H4 (0.44) NR1H4PHGDHEPHX2MMP13PTGER4
SCHEMBL6483921 0.74 MAPT (0.45) NR1H4PHGDHEPHX2MMP13PTGER4
SCHEMBL6487093 0.73 NR1H4 (0.46) NR1H4PHGDHEPHX2MMP13ALDH1A1
SCHEMBL6488185 0.72 TRPA1 (0.53) NR1H4PHGDHEPHX2ALDH1A1HPGD

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-6897223-B2 Pyridine fused bicyclic metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-05-24 US disclosed
US-20040039012-A1 Pyridine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 US disclosed
WO-2004014908-A1 HETEROBICYLCIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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 (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-20040039012-A1 Pyridine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 NR1H4 2002/4885PHGDH 1652/4885EPHX2 176/4885

“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.