SCHEMBL6703433

SCHEMBL6703433

Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2sc(C(=O)NCc3ccccc3)cc21

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 6/20 0.61
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.51
THRB P10828 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CNR2 P34972 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TP53 P04637 2/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL7033633 0.94 TRPA1 (0.57) TRPA1SMN1; SMN2RXFP1MEN1KMT2A
SCHEMBL6704883 0.82 TRPA1 (0.56) TRPA1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7033357 0.80 SMN1; SMN2 (0.54) TRPA1MAPTSMN1; SMN2THRBKMT2A
SCHEMBL6245168 0.77 TRPA1 (0.62) TRPA1MAPTSMN1; SMN2RXFP1ALDH1A1
SCHEMBL7021132 0.77 TRPA1 (0.57) TRPA1MAPTSMN1; SMN2RXFP1NPSR1
SCHEMBL7032058 0.76 MMP13 (0.53) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL5957503 0.76 TRPA1 (1.00) TRPA1MAPTCNR2L3MBTL1TP53
SCHEMBL6731246 0.75 TRPA1 (0.67) TRPA1MAPTSMN1; SMN2RXFP1MEN1
SCHEMBL6257817 0.75 TRPA1 (0.66) TRPA1MAPTSMN1; SMN2THRBRXFP1
SCHEMBL6701930 0.75 TRPA1 (0.54) TRPA1MAPTSMN1; SMN2RXFP1

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-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 US claimed
US-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 US disclosed
WO-2004014916-A1 PYRIMIDINE FUSED BICYCLIC 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-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 TRPA1 4283/4885MAPT 4548/4885SMN1; SMN2 3684/4885

“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.