SCHEMBL18004258

SCHEMBL18004258

N#Cc1[nH]nnc1-c1cc(Cc2cc(F)cc(C(F)(F)F)c2)cc(OC(F)(F)F)c1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.32
▸ GPR52 Q9Y2T5 1/20 0.32
▸ SCN5A Q14524 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ USP7 Q93009 1/20 0.31
▸ AKT1 P31749 1/20 0.30

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
SCHEMBL18004474 0.88 TRPA1 (0.33) TRPA1SCN5ASCN9AUSP7AKT1
SCHEMBL18004252 0.88 DAO (0.35) TRPA1SCN5ASCN9AUSP7
SCHEMBL18004137 0.87 TRPA1 (0.34) TRPA1SCN5ASCN9AUSP7
SCHEMBL18004162 0.87 USP7 (0.36) TRPA1SCN5ASCN9AUSP7
SCHEMBL16399599 0.86 TRPA1 (0.35) TRPA1SCN5ASCN9AUSP7
SCHEMBL18004247 0.84 GPR52 (0.35) GPR52
SCHEMBL18004037 0.83 USP7 (0.37) TRPA1SCN5ASCN9AUSP7
SCHEMBL18004029 0.82 TRPA1 (0.36) TRPA1SCN5ASCN9AUSP7
SCHEMBL18004377 0.82 CTSS (0.38) —
SCHEMBL18004301 0.81 AKT1 (0.33) GPR52AKT1

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
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 — — EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 — — US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 — — US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 — — 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 (2 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 TRPA1 3643/4885GPR52 3456/4885SCN5A 1521/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 TRPA1 3643/4885GPR52 3456/4885SCN5A 1521/4885

“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.

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