SCHEMBL18004405

SCHEMBL18004405

N#Cc1[nH]nnc1-c1cc(/C=C/c2ccc(C(F)(F)F)cc2)cc(OC(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.38
▸ AHR P35869 1/20 0.35
▸ TRPA1 O75762 3/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ USP7 Q93009 1/20 0.33
▸ NQO2 P16083 1/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNA7 P36544 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ BCHE P06276 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ DAO P14920 1/20 0.30
▸ CTSS P25774 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
SCHEMBL18004352 0.93 TRPA1 (0.34) TRPA1SCN5ASCN9AUSP7CTSS
SCHEMBL16398651 0.91 NQO2 (0.36) PTGS1TRPA1SCN5ASCN9AUSP7
SCHEMBL16398652 0.91 NQO2 (0.36) PTGS1TRPA1SCN5ASCN9AUSP7
SCHEMBL18004333 0.90 NFE2L2 (0.37) TRPA1SCN5ASCN9AUSP7CHEK1
SCHEMBL18004498 0.90 CYP1A1 (0.38) PTGS1AHRNQO2MAOBBCHE
SCHEMBL18004364 0.89 AHR (0.40) PTGS1AHRNQO2MAOBBCHE
SCHEMBL18004362 0.88 PTGS1 (0.36) PTGS1AHRNQO2CHRNB2CHRNB4
SCHEMBL18004421 0.86 USP7 (0.42) TRPA1SCN5ASCN9AUSP7CHEK1
SCHEMBL18004067 0.86 TRPA1 (0.39) TRPA1SCN5ASCN9AUSP7KDM1A
SCHEMBL18004486 0.84 TRPA1 (0.32) TRPA1SCN5ASCN9AUSP7BCHE

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 PTGS1 2094/4885AHR 3515/4885TRPA1 3643/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 PTGS1 2094/4885AHR 3515/4885TRPA1 3643/4885

“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.

Send feedback