SCHEMBL4591849

SCHEMBL4591849

ClCc1cncc(-c2ccc(Cl)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.49
SCN10A Q9Y5Y9 5/20 0.44
SCN2A Q99250 4/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
GFER P55789 1/20 0.40
CNR1 P21554 1/20 0.39
LSS P48449 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNB3 Q05901 1/20 0.38
AHR P35869 1/20 0.38
FDPS P14324 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL9413197 0.83 MAP4K4 (0.51) MAP4K4SCN10ASCN2AGRIN1GRIN2B
SCHEMBL4591262 0.83 CYP11B1 (0.53) MAP4K4SCN10ASCN2AGRIN1GRIN2B
SCHEMBL17826987 0.83 MAP4K4 (0.47) MAP4K4SCN10ASCN2AGRIN1GRIN2B
SCHEMBL4197241 0.83 DRD2 (0.52) SCN10AGRIN1GRIN2BCYP11B1CYP11B2
SCHEMBL2646363 0.82 CYP11B1 (0.54) SCN10ASCN2AMKNK1MKNK2CNR1
SCHEMBL7390587 0.80 CYP11B1 (0.49) GRIN1GRIN2BCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL4429049 0.80 AHR (0.48) GRIN1GRIN2BMKNK2CYP11B1CYP11B2
SCHEMBL4591821 0.80 TAAR1 (0.47) MAP4K4GRIN1GRIN2BMAOB
SCHEMBL4591289 0.79 KIF11 (0.48) CYP11B1CYP11B2CHRNB1CHRNB2CHRNB4
SCHEMBL7393685 0.79 CYP11B1 (0.56) MAP4K4MKNK1MKNK2CYP11B1CYP11B2

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 MAP4K4 776/4885SCN10A 1868/4885SCN2A 870/4885

“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.