SCHEMBL4590801

SCHEMBL4590801

OCc1cccc(-c2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 1/20 0.48
SCN5A Q14524 3/20 0.48
SCN10A Q9Y5Y9 1/20 0.47
EPHB4 P54760 1/20 0.46
TEK Q02763 1/20 0.46
TRPV3 Q8NET8 3/20 0.44
SCN9A Q15858 6/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
ABL1 P00519 1/20 0.43
ACP1 P24666 1/20 0.41
ADORA3 P0DMS8 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
SCHEMBL23176310 0.85 SCN5A (0.48) SUCNR1SCN5ASCN10AEPHB4TEK
SCHEMBL4591287 0.85 SCN5A (0.48) SUCNR1SCN5ASCN10AEPHB4TEK
SCHEMBL805909 0.81 SCN9A (0.65) TRPV3SCN9A
SCHEMBL16675837 0.80 NPC1 (0.49) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL4592059 0.80 TRPV3 (0.61) TRPV3SCN9A
SCHEMBL13680824 0.79 SUCNR1 (0.44) SUCNR1SCN5ASCN10AEPHB4TEK
SCHEMBL9009141 0.77 THRB (0.53) TRPV3SCN9ANPC1ALDH1A1MAPT
SCHEMBL30484292 0.77 THRB (0.53) TRPV3SCN9ANPC1ALDH1A1MAPT
SCHEMBL4728195 0.76 DHFR (0.46)
SCHEMBL22421794 0.76 ASIC3 (0.55) SUCNR1SCN5ASCN10AEPHB4TEK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20070032530-A1 Phenylpyridine derivatives CYP3A5, QDPR, DPYD SUCNR1 748/4885SCN5A 37/4885SCN10A 1868/4885

“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.