SCHEMBL16399216

SCHEMBL16399216

Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1-c1nn[nH]c1C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ MYC P01106 1/20 0.36
▸ WDR5 P61964 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ KIF11 P52732 1/20 0.35
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PPARA Q07869 4/20 0.34
▸ PPARG P37231 3/20 0.34

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
SCHEMBL16399924 0.87 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2ACTSS
SCHEMBL18005047 0.86 NPC1 (0.38) NPC1ALDH1A1GAAMAPTKDM4E
SCHEMBL18005008 0.86 NPC1 (0.37) NPC1ALDH1A1GAAMAPTKDM4E
SCHEMBL18005034 0.85 NPC1 (0.38) NPC1ALDH1A1GAAMAPTKDM4E
SCHEMBL18005070 0.85 NPC1 (0.46) NPC1ALDH1A1GAAMAPTKDM4E
SCHEMBL18005081 0.84 TRPV3 (0.34) —
SCHEMBL16398564 0.84 ALDH1A1 (0.40) ALDH1A1MAPTKDM4ECTSSCTSK
SCHEMBL18005000 0.84 CTSS (0.42) NPC1ALDH1A1GAAMAPTKDM4E
SCHEMBL16399408 0.84 APEX1 (0.45) NPC1ALDH1A1GAAMAPTKDM4E
SCHEMBL16399089 0.83 NPC1 (0.39) NPC1ALDH1A1GAAMAPTKDM4E

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4570313-A2 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2025-06-18 — — EP claimed
WO-2025005074-A1 THERAPEUTIC AGENT FOR NONALCHOLIC STETOHEPATITIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2025-01-02 — — WO claimed
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 — — EP claimed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 — — US claimed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 — — US claimed
EP-3022199-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2016-05-25 — — EP claimed
CN-105408325-A Cyanotriazole compounds OTSUKA PHARMA CO LTD 2016-03-16 — — CN claimed
WO-2015008872-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-22 — — WO claimed
EP-4570313-A2 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2025-06-18 — — EP disclosed
WO-2025005074-A1 THERAPEUTIC AGENT FOR NONALCHOLIC STETOHEPATITIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2025-01-02 — — WO disclosed
WO-2025005074-A1 THERAPEUTIC AGENT FOR NONALCHOLIC STETOHEPATITIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2025-01-02 — — WO disclosed
US-20230255995-A1 Nicotinyl Riboside Compounds and Their Uses MITOPOWER LLC 2023-08-17 — — US disclosed
US-20230255995-A1 Nicotinyl Riboside Compounds and Their Uses MITOPOWER LLC 2023-08-17 — — US disclosed
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 — — EP 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
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
CN-105408325-A Cyanotriazole compounds OTSUKA PHARMA CO LTD 2016-03-16 — — CN 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 (3 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 1062/4885ALDH1A1 1611/4885GAA 343/4885
US-20230255995-A1 Nicotinyl Riboside Compounds and Their Uses NADK, NNT, NAMPT NPC1 798/4885ALDH1A1 1331/4885GAA 1198/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 NPC1 1062/4885ALDH1A1 1611/4885GAA 343/4885

“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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