SCHEMBL16398920

SCHEMBL16398920

O=Cc1cccc(OCc2cc(C(F)(F)F)ccc2C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ SRD5A2 P31213 1/20 0.52
▸ MAOB P27338 10/20 0.51
▸ MAOA P21397 9/20 0.51
▸ TDP1 Q9NUW8 1/20 0.47
▸ POLB P06746 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAPT P10636 1/20 0.44
▸ SPHK2 Q9NRA0 2/20 0.44
▸ SPHK1 Q9NYA1 2/20 0.44
▸ SRD5A1 P18405 1/20 0.44
▸ PTGES O14684 1/20 0.41

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
SCHEMBL18001514 0.90 NPC1 (0.52) NPC1RAB9AMAOBMAOATDP1
SCHEMBL16399105 0.88 CCNB2 (0.57) NPC1RAB9ASRD5A2MAOBMAOA
SCHEMBL16399103 0.88 CCNB2 (0.57) NPC1RAB9ASRD5A2MAOBMAOA
SCHEMBL18002049 0.88 MAOA (0.46) NPC1RAB9ASRD5A2MAOBMAOA
SCHEMBL18001595 0.86 ALDH1A1 (0.44) NPC1RAB9ASRD5A2MAOBMAOA
SCHEMBL16399110 0.86 SRD5A2 (0.53) NPC1RAB9ASRD5A2MAOBMAOA
SCHEMBL18001613 0.85 ALDH1A1 (0.43) NPC1RAB9ASRD5A2MAOBMAOA
SCHEMBL12577906 0.85 SRD5A2 (0.62) RAB9ASRD5A2MAOBMAOAPOLB
SCHEMBL28593940 0.85 NPC1 (0.63) NPC1RAB9AMAOBMAOATDP1
SCHEMBL16399166 0.82 SRD5A2 (0.50) NPC1RAB9ASRD5A2MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4570313-A2 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2025-06-18 — — EP disclosed
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
CN-105408325-B cyanotriazole compounds 大塚制药株式会社 2019-10-22 — — CN disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 — — US disclosed
EP-3022199-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2016-05-25 — — EP disclosed
WO-2015008872-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-22 — — WO 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 NPC1 1062/4885RAB9A 4775/4885SRD5A2 937/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 NPC1 1062/4885RAB9A 4775/4885SRD5A2 937/4885

“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.

Send feedback