SCHEMBL18004516

SCHEMBL18004516

N#Cc1[nH]nnc1-c1cccc(/C=C/c2cc(C(F)(F)F)ccc2C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 4/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ PRMT6 Q96LA8 1/20 0.31
▸ PRMT8 Q9NR22 1/20 0.31
▸ TRPV1 Q8NER1 1/20 0.31
▸ CTSK P43235 4/20 0.31
▸ MEN1 O00255 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ MAOB P27338 1/20 0.30
▸ TNF P01375 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ NOD2 Q9HC29 1/20 0.30
▸ NOD1 Q9Y239 1/20 0.30
▸ CHRNB2 P17787 1/20 0.30
▸ CHRNB4 P30926 1/20 0.30
▸ CHRNA3 P32297 1/20 0.30
▸ CHRNA7 P36544 1/20 0.30
▸ CHRNA4 P43681 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ DGAT1 O75907 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
SCHEMBL16399067 0.92 NFE2L2 (0.38) CTSSNFE2L2PRMT6PRMT8TRPV1
SCHEMBL17969165 0.92 NFE2L2 (0.38) CTSSNFE2L2PRMT6PRMT8TRPV1
SCHEMBL18004456 0.90 NFE2L2 (0.36) NFE2L2
SCHEMBL18004451 0.90 NFE2L2 (0.36) CTSSNFE2L2PRMT6PRMT8CTSK
SCHEMBL18004495 0.89 TNF (0.36) TRPV1MAOBTNFNOD1
SCHEMBL16399454 0.88 NFE2L2 (0.43) CTSSNFE2L2CTSKMEN1KMT2A
SCHEMBL16399452 0.88 NFE2L2 (0.43) CTSSNFE2L2CTSKMEN1KMT2A
SCHEMBL16398774 0.87 NFE2L2 (0.39) CTSSNFE2L2MAOBCHRNB2CHRNB4
SCHEMBL16398775 0.87 NFE2L2 (0.39) CTSSNFE2L2MAOBCHRNB2CHRNB4
SCHEMBL18004335 0.85 NFE2L2 (0.36) CTSSNFE2L2CTSKMEN1KMT2A

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 CTSS 2273/4885NFE2L2 1380/4885PRMT6 1419/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 CTSS 2273/4885NFE2L2 1380/4885PRMT6 1419/4885

“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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