SCHEMBL6683536

SCHEMBL6683536

Cc1c2n(c(=O)n(Cc3ccc(F)c(F)c3)c1=O)C=C(C(=O)NCc1ccc(F)cc1)SC2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.45
HTR7 P34969 1/20 0.41
MAPT P10636 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TP53 P04637 2/20 0.37
POLB P06746 2/20 0.37
GAA P10253 2/20 0.37
CACNA1G O43497 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
S1PR3 Q99500 2/20 0.36
PPARG P37231 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
SCHEMBL6684363 0.86 TRPA1 (0.46) TRPA1MAPTNPSR1MEN1KMT2A
SCHEMBL6679462 0.85 ALDH1A1 (0.36) TRPA1ALDH1A1TP53
SCHEMBL6679240 0.84 TP53 (0.36) TRPA1MAPTALDH1A1TP53
SCHEMBL6685075 0.84 TRPA1 (0.43) TRPA1HTR7MAPTNPSR1MEN1
SCHEMBL6679307 0.82 TRPA1 (0.43) TRPA1HTR7MAPTNPSR1MEN1
SCHEMBL6683643 0.76 MAPT (0.53) TRPA1MAPTALDH1A1HPGDTP53
SCHEMBL6681574 0.72 ALDH1A1 (0.36) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL6679418 0.72 PTGDR2 (0.36) ALDH1A1S1PR3
SCHEMBL6679503 0.71 TRPA1 (0.42) TRPA1HTR7MAPTNPSR1MEN1
SCHEMBL6679886 0.71 KDM4E (0.38) MAPTALDH1A1SMN1; SMN2

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-20040034009-A1 1,6-Fused uracil derivatives as matrix metalloproteinase inhibitors ROARK WILLIAM HOWARD (US) 2004-02-19 US claimed
WO-2004014354-A1 1,6-FUSED URACIL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO 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 4681/4885HTR7 4354/4885MAPT 1535/4885

“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.