SCHEMBL6679412

SCHEMBL6679412

Cc1c2n(c(=O)n(Cc3ccc(C#N)cc3)c1=O)C=C(C(=O)NCc1ccc(F)cc1)OC2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.44
KLKB1 P03952 2/20 0.44
KLK1 P06870 2/20 0.44
PRKAA2 P54646 4/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CXCR3 P49682 2/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MITF O75030 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL6685075 0.86 TRPA1 (0.43) TRPA1ALDH1A1CNR1CNR2MAPT
SCHEMBL6682041 0.85 MAPK14 (0.39) ALDH1A1KDM4EHSD17B10CNR1CNR2
SCHEMBL6684363 0.85 TRPA1 (0.46) TRPA1KLKB1KLK1PRKAA2ALDH1A1
SCHEMBL6683316 0.83 TRPA1 (0.44) TRPA1KLKB1KLK1PRKAA2ALDH1A1
SCHEMBL5957526 0.73 TRPA1 (0.80) TRPA1KLKB1KLK1PRKAA2HSD17B10
SCHEMBL6679886 0.73 KDM4E (0.38) ALDH1A1KDM4EHSD17B10CNR1CNR2
SCHEMBL6682079 0.71 NOTUM (0.40) TRPA1ALDH1A1KDM4ERAB9A
SCHEMBL6682735 0.71 KDM4E (0.38) ALDH1A1KDM4EHSD17B10MITFMAPT
SCHEMBL6683536 0.71 TRPA1 (0.45) TRPA1ALDH1A1MAPT
SCHEMBL6681574 0.71 ALDH1A1 (0.36) ALDH1A1KDM4ECNR1CNR2MAPT

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-20040034009-A1 1,6-Fused uracil derivatives as matrix metalloproteinase inhibitors ROARK WILLIAM HOWARD (US) 2004-02-19 US claimed
US-20040034009-A1 1,6-Fused uracil derivatives as matrix metalloproteinase inhibitors ROARK WILLIAM HOWARD (US) 2004-02-19 US disclosed
WO-2004014354-A1 1,6-FUSED URACIL DERIVATIVES AS MATRIX 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-20040034009-A1 1,6-Fused uracil derivatives as matrix metalloproteinase inhibitors MMP9, MMP13, MMP11 TRPA1 4681/4885KLKB1 3168/4885KLK1 2298/4885

“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.