SCHEMBL4591289

SCHEMBL4591289

FC(F)(F)c1ccc(-c2cncc(CCl)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.48
KDM1A O60341 1/20 0.45
HDAC1 Q13547 1/20 0.45
AGXT P21549 1/20 0.42
FDPS P14324 1/20 0.41
MAOB P27338 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNB3 Q05901 1/20 0.41
PIP4K2B P78356 1/20 0.40
PRMT6 Q96LA8 1/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL4591858 0.83 CYP11B1 (0.51) KIF11KDM1AHDAC1AGXTFDPS
SCHEMBL16894176 0.83 MAOB (0.49) KIF11KDM1AHDAC1AGXTFDPS
SCHEMBL4197241 0.81 DRD2 (0.52) FDPSCHRNB4CHRNA3CYP11B1CYP11B2
SCHEMBL4592087 0.80 PRMT6 (0.61) PRMT6CYP11B1CYP11B2CA12CA9
SCHEMBL4591849 0.79 MAP4K4 (0.49) FDPSMAOBCHRNB1CHRNB2CHRNB4
SCHEMBL9895027 0.78 RXRA (0.57) KIF11KDM1AHDAC1FDPSCYP11B1
SCHEMBL19584345 0.78 DAO (0.46) CYP11B1CYP11B2ALDH1A1
SCHEMBL2290365 0.78 MAOB (0.57) KIF11AGXTMAOBKDM4EALDH1A1
SCHEMBL2646363 0.77 CYP11B1 (0.54) FDPSCHRNB2CHRNB4CHRNA3CYP11B1
SCHEMBL3522621 0.76 AGXT (0.64) KIF11AGXTMAOB

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 KIF11 4353/4885KDM1A 2483/4885HDAC1 1094/4885

“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.