SCHEMBL10171044

SCHEMBL10171044

CCCCCOc1c(F)cc(-c2csc(NC(=O)Cn3nc(C)c4c3c(=O)n(C)c(=O)n4C)n2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
TRPA1 O75762 18/20 0.49

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
SCHEMBL10171116 0.91 TRPA1 (0.60) MAPTTRPA1
SCHEMBL612378 0.89 TRPA1 (0.63) MAPTTRPA1
SCHEMBL10171777 0.87 TRPA1 (0.65) MAPTTRPA1
SCHEMBL10171007 0.83 TRPA1 (0.70) MAPTTRPA1
SCHEMBL10171817 0.82 TRPA1 (0.72) MAPTTRPA1
SCHEMBL611758 0.79 TRPA1 (0.77) MAPTTRPA1
SCHEMBL2449784 0.79 TRPA1 (0.58) MAPTTRPA1
SCHEMBL10171371 0.78 TRPA1 (0.79) MAPTTRPA1
SCHEMBL14243404 0.78 TRPA1 (0.80) TRPA1
SCHEMBL612953 0.77 TRPA1 (0.65) MAPTTRPA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041004-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPAI MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-16 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-20120041004-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPAI MODULATORS TRPA1, TRPV1, TRPC3 MAPT 2007/4885TRPA1 1/4885

“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.