SCHEMBL18004333

SCHEMBL18004333

N#Cc1[nH]nnc1-c1cc(/C=C/c2cccc(C(F)(F)F)c2)cc(OC(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 1/20 0.37
▸ USP7 Q93009 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAOB P27338 3/20 0.34
▸ TRPA1 O75762 2/20 0.33
▸ FBP1 P09467 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CTSS P25774 2/20 0.33
▸ MAOA P21397 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ SCN5A Q14524 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
SCHEMBL18004421 0.93 USP7 (0.42) USP7CHEK1TRPA1CTSSCTSK
SCHEMBL16400396 0.91 MAOB (0.41) NFE2L2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL16400397 0.91 MAOB (0.41) NFE2L2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL18004352 0.91 TRPA1 (0.34) USP7TRPA1CTSSCTSKSCN5A
SCHEMBL18004824 0.91 NFE2L2 (0.42) NFE2L2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL18004405 0.90 PTGS1 (0.38) USP7CHEK1CHRNB2CHRNB4CHRNA3
SCHEMBL16399761 0.90 NFE2L2 (0.41) NFE2L2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL16399763 0.90 NFE2L2 (0.41) NFE2L2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL16398798 0.89 CHRNB2 (0.40) NFE2L2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL18004461 0.89 NFE2L2 (0.35) NFE2L2CHEK1CHRNB2CHRNB4CHRNA3

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 NFE2L2 1380/4885USP7 3039/4885CHEK1 923/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 NFE2L2 1380/4885USP7 3039/4885CHEK1 923/4885

“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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