SCHEMBL4591858

SCHEMBL4591858

OCc1cncc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.51
CYP11B2 P19099 3/20 0.51
KIF11 P52732 5/20 0.48
KDM1A O60341 1/20 0.48
HDAC1 Q13547 1/20 0.48
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
FDPS P14324 1/20 0.44
AGXT P21549 1/20 0.42
CYP2A6 P11509 1/20 0.42
MAP4K4 O95819 1/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
PRKCI P41743 1/20 0.41
MAOB P27338 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 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
SCHEMBL4591289 0.83 KIF11 (0.48) CYP11B1CYP11B2KIF11KDM1AHDAC1
SCHEMBL16894176 0.83 MAOB (0.49) CYP11B1CYP11B2KIF11KDM1AHDAC1
SCHEMBL9895027 0.81 RXRA (0.57) CYP11B1CYP11B2KIF11KDM1AHDAC1
SCHEMBL1582822 0.81 CYP11B1 (0.59) CYP11B1CYP11B2FDPSCYP2A6PRMT5
SCHEMBL4592299 0.80 PRMT6 (0.61) CYP11B1CYP11B2FDPS
SCHEMBL7547420 0.78 DAO (0.46) CYP11B1CYP11B2RXRARXRBRXRG
SCHEMBL1781036 0.78 KIF11 (0.58) KIF11RXRARXRBRXRGMAOB
SCHEMBL4591262 0.77 CYP11B1 (0.53) CYP11B1CYP11B2CYP2A6MAP4K4PRMT5
SCHEMBL31403052 0.77 KIF11 (0.59) CYP11B1CYP11B2KIF11KDM1AHDAC1
SCHEMBL9926848 0.77 CYP11B1 (0.60) CYP11B1CYP11B2KIF11KDM1AHDAC1

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 CYP11B1 127/4885CYP11B2 103/4885KIF11 4353/4885

“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.