SCHEMBL4591309

SCHEMBL4591309

OCc1ccc(-c2cccc(C(F)(F)F)c2)nc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.53
KDM1A O60341 5/20 0.53
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
IDO1 P14902 1/20 0.49
KMO O15229 2/20 0.47
MAOA P21397 2/20 0.46
DHODH Q02127 1/20 0.46
S1PR1 P21453 1/20 0.45
SCN2A Q99250 1/20 0.44
HRH1 P35367 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FGFR3 P22607 1/20 0.43
KDR P35968 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
SCHEMBL4592034 0.85 KDM1A (0.53) MAOBKDM1ACYP11B1CYP11B2IDO1
SCHEMBL21093319 0.83 NPC1 (0.54) MAOBKDM1ACYP11B1CYP11B2IDO1
SCHEMBL5510507 0.82 FYN (0.49) MAOBKDM1ACYP11B1CYP11B2
SCHEMBL1549725 0.81 PPARA (0.50) MAOBKDM1ACYP11B1CYP11B2IDO1
SCHEMBL30633001 0.81 PPARA (0.50) MAOBKDM1ACYP11B1CYP11B2IDO1
SCHEMBL1416558 0.81 KDM1A (0.61) MAOBKDM1AIDO1KMOMAOA
SCHEMBL6235013 0.80 KDM1A (0.57) MAOBKDM1AIDO1KMOMAOA
SCHEMBL8303713 0.79 PIM1 (0.51) KCNH2
SCHEMBL6236148 0.78 KDM1A (0.58) MAOBKDM1AIDO1KMOMAOA
SCHEMBL30696290 0.78 MAOB (0.64) MAOBKDM1AS1PR1

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 6 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
WO-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 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 (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 MAOB 211/4885KDM1A 2483/4885CYP11B1 127/4885

“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.