SCHEMBL4592102

SCHEMBL4592102

O=Cc1ccc(-c2cccc(C(F)(F)F)c2)nc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
POLB P06746 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
KDM1A O60341 5/20 0.53
MAOB P27338 5/20 0.53
IDO1 P14902 1/20 0.49
KMO O15229 2/20 0.47
DHODH Q02127 1/20 0.46
SCN2A Q99250 2/20 0.44
MAOA P21397 2/20 0.44
HRH1 P35367 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
XDH P47989 1/20 0.44
CTSS P25774 1/20 0.43
PIM1 P11309 1/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CG P48736 1/20 0.43

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
SCHEMBL2271123 0.81 KDM1A (0.49) ALDH1A1POLBL3MBTL1KDM1AMAOB
SCHEMBL527527 0.81 ALDH1A1 (0.53) ALDH1A1KDM1AMAOBIDO1KMO
SCHEMBL527528 0.81 ALDH1A1 (0.53) ALDH1A1KDM1AMAOBIDO1KMO
SCHEMBL1416558 0.81 KDM1A (0.61) ALDH1A1KDM1AMAOBIDO1KMO
SCHEMBL6243512 0.79 DHODH (0.54) ALDH1A1KDM1AMAOBIDO1KMO
SCHEMBL31356744 0.79 ALDH1A1 (0.48) ALDH1A1POLBL3MBTL1XDHCTSS
SCHEMBL6236148 0.78 KDM1A (0.58) ALDH1A1KDM1AMAOBIDO1KMO
SCHEMBL7444196 0.78 CTSS (0.46) ALDH1A1POLBL3MBTL1KDM1AMAOB
SCHEMBL7215429 0.78 KIF11 (0.56) ALDH1A1POLBL3MBTL1KDM1AMAOB
SCHEMBL30679628 0.78 KIF11 (0.56) ALDH1A1POLBL3MBTL1KDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101193635-A Multicyclic compounds and methods of their use LEXICON GENETICS INC (US) 2008-06-04 CN claimed
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
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
US-7429605-B2 Phenylpyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-30 US disclosed
CN-101213186-A Phenylpyridine derivatives, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2008-07-02 CN disclosed
CN-101193635-A Multicyclic compounds and methods of their use LEXICON GENETICS INC (US) 2008-06-04 CN disclosed
EP-1912969-A1 PHENYLPYRIDINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-04-23 EP disclosed
WO-2007017169-A1 PHENYLPYRIDINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 WO disclosed
US-20070032530-A1 Phenylpyridine derivatives HOFFMANN-LA ROCHE INC. 2007-02-08 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 (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 ALDH1A1 1611/4885POLB 539/4885L3MBTL1 1503/4885
US-20070032530-A1 Phenylpyridine derivatives CYP3A5, QDPR, DPYD ALDH1A1 40/4885POLB 1112/4885L3MBTL1 3622/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 ALDH1A1 1611/4885POLB 539/4885L3MBTL1 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.