SCHEMBL18003237

SCHEMBL18003237

O=Cc1cc(Cl)cc(OCc2ccc(C(F)(F)F)cc2F)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.47
▸ FFAR1 O14842 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ AHR P35869 1/20 0.38
▸ DAO P14920 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GSK3B P49841 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ MRGPRX4 Q96LA9 2/20 0.36
▸ FOXM1 Q08050 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPD P32754 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ RIPK3 Q9Y572 1/20 0.35
▸ EPAS1 Q99814 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
SCHEMBL18003240 0.88 SLC6A4 (0.45) L3MBTL1TDP1AHRDAOPOLB
SCHEMBL18002503 0.88 IDO1 (0.49) IDO1FFAR1L3MBTL1DAOPOLB
SCHEMBL18003148 0.85 IDO1 (0.47) IDO1FFAR1L3MBTL1DAOPOLB
SCHEMBL18002604 0.85 SRD5A2 (0.50) IDO1L3MBTL1TDP1AHRPOLB
SCHEMBL18003211 0.82 MAOB (0.49) AHRMAOAMAOB
SCHEMBL18002000 0.81 IDO1 (0.50) IDO1FFAR1L3MBTL1POLBALDH1A1
SCHEMBL18002634 0.81 PARP15 (0.48) TDP1ALDH1A1GSK3BMAPTMAOA
SCHEMBL18002879 0.79 MAPT (0.58) IDO1FFAR1L3MBTL1POLBMRGPRX4
SCHEMBL18002460 0.78 TDP1 (0.44) IDO1L3MBTL1TDP1POLBMRGPRX4
SCHEMBL18002892 0.78 IDO1 (0.47) IDO1FFAR1L3MBTL1POLBALDH1A1

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 IDO1 2430/4885FFAR1 1292/4885L3MBTL1 1503/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 IDO1 2430/4885FFAR1 1292/4885L3MBTL1 1503/4885

“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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