SCHEMBL18004259

SCHEMBL18004259

N#Cc1[nH]nnc1-c1cc(C(F)(F)F)ccc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 3/20 0.40
▸ SCN5A Q14524 2/20 0.40
▸ SCN9A Q15858 2/20 0.40
▸ KDM1A O60341 2/20 0.39
▸ MAOB P27338 2/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ FNTB P49356 2/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ FFAR4 Q5NUL3 2/20 0.34
▸ DHFR P00374 3/20 0.34
▸ DGAT1 O75907 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ FNTA P49354 1/20 0.33
▸ PGGT1B P53609 1/20 0.33

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
SCHEMBL18004370 0.90 KIF11 (0.40) TRPA1KDM1AMAOBPTGDR2DHODH
SCHEMBL18004147 0.89 PTGDR2 (0.44) KDM1AMAOBPTGDR2
SCHEMBL18004263 0.88 USP7 (0.44) TRPA1SCN5ASCN9AFNTBADORA1
SCHEMBL18004152 0.87 BTK (0.42) SCN9AKDM1AMAOBPTGDR2FFAR4
SCHEMBL18004367 0.85 CNR1 (0.42) TRPA1PTGDR2DHODHFFAR4DGAT1
SCHEMBL18004153 0.85 SMN1; SMN2 (0.41) PTGDR2DGAT1ADORA1
SCHEMBL18004266 0.83 CTSS (0.36) PTGDR2DHODHDGAT1
SCHEMBL18003735 0.82 TRPA1 (0.42) TRPA1SCN5ASCN9AKDM1AMAOB
SCHEMBL1249328 0.82 SCN5A (0.49) TRPA1SCN5ASCN9AKDM1AMAOB
SCHEMBL18006080 0.81 SCN5A (0.48) TRPA1SCN5ASCN9AKDM1AMAOB

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 3643/4885SCN5A 1521/4885SCN9A 3205/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 TRPA1 3643/4885SCN5A 1521/4885SCN9A 3205/4885

“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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