SCHEMBL21945011

SCHEMBL21945011

CC1C=C(c2ccc(OCc3ccc(F)c(F)c3)cc2)SC1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.50
▸ MAOA P21397 2/20 0.50
▸ ACHE P22303 1/20 0.44
▸ ANO1 Q5XXA6 3/20 0.39
▸ MME P08473 1/20 0.39
▸ ACE P12821 1/20 0.39
▸ CPA1 P15085 1/20 0.39
▸ ACE2 Q9BYF1 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ FFAR1 O14842 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALKBH1 Q13686 2/20 0.36
▸ GSTP1 P09211 1/20 0.36
▸ F9 P00740 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ PRKDC P78527 1/20 0.36
▸ S1PR1 P21453 1/20 0.35
▸ S1PR5 Q9H228 1/20 0.35
▸ GYS1 P13807 1/20 0.35

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
SCHEMBL21944880 0.81 PPARD (0.43) MAOBMMEACECPA1ACE2
SCHEMBL21945001 0.72 SRD5A2 (0.50) MAOBMAOAPPARAFFAR1
SCHEMBL14541925 0.70 MAOB (0.65) MAOBMAOAACHEANO1POLB
SCHEMBL21944801 0.69 MAOB (0.43) MAOBMAOAFFAR1POLBL3MBTL1
SCHEMBL7028448 0.68 MAOB (0.67) MAOBMAOAACHEMMEACE
SCHEMBL7026399 0.67 MAOB (1.00) MAOBMAOAPPARAL3MBTL1
SCHEMBL7026306 0.67 MAOB (0.74) MAOBMAOAACHEANO1MME
SCHEMBL5382147 0.67 MAOB (0.66) MAOBMAOAL3MBTL1
SCHEMBL30792426 0.67 MAOB (0.60) MAOBMAOAACHEPPARAFFAR1
SCHEMBL15774625 0.67 RAB9A (0.63) MAOBMAOAACHEPPARAFFAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 — — 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 (1 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 MAOB 3664/4885MAOA 4309/4885ACHE 2953/4885

“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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