SCHEMBL18003166

SCHEMBL18003166

CCOc1ccc(C=O)cc1/C=C/c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 1/20 0.49
▸ CHRNB2 P17787 1/20 0.47
▸ CHRNB4 P30926 1/20 0.47
▸ CHRNA3 P32297 1/20 0.47
▸ CHRNA7 P36544 1/20 0.47
▸ CHRNA4 P43681 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ FBP1 P09467 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ TACR2 P21452 1/20 0.39

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
SCHEMBL18002553 0.93 NFE2L2 (0.51) NFE2L2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL18002880 0.89 ALDH1A1 (0.46) ALDH1A1L3MBTL1POLBMAPTCYP1A2
SCHEMBL18003155 0.83 TUBB1 (0.43) NFE2L2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL16399350 0.82 NFE2L2 (0.48) NFE2L2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL16399353 0.82 NFE2L2 (0.48) NFE2L2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL16399598 0.81 NFE2L2 (0.48) NFE2L2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL16399595 0.81 NFE2L2 (0.48) NFE2L2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL16398906 0.80 NFE2L2 (0.45) NFE2L2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL17969016 0.80 NFE2L2 (0.45) NFE2L2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL18002394 0.79 CHRNB2 (0.50) NFE2L2CHRNB2CHRNB4CHRNA3CHRNA7

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 1380/4885CHRNB2 3223/4885CHRNB4 3646/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 NFE2L2 1380/4885CHRNB2 3223/4885CHRNB4 3646/4885

“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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