SCHEMBL4592241

SCHEMBL4592241

ClCc1cccc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.47
MAPT P10636 4/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KCNH2 Q12809 1/20 0.39
CNR2 P34972 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
CNR1 P21554 1/20 0.38
HSD11B1 P28845 1/20 0.38
KMO O15229 1/20 0.38
CYP1A2 P05177 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
SCHEMBL5376937 0.84 MEN1 (0.60) MAPTALDH1A1POLBHPGDHSD17B10
SCHEMBL8989216 0.83 MEN1 (0.43) MAPTALDH1A1POLBHPGDHSD17B10
SCHEMBL9009001 0.83 NOTUM (0.45) MAPTALDH1A1POLBHPGDHSD17B10
SCHEMBL2759538 0.83 CNR2 (0.43) MAPTALDH1A1POLBHPGDHSD17B10
SCHEMBL6484177 0.83 SCN9A (0.43) MAPTALDH1A1POLBHPGDHSD17B10
Hydrochloric Acid SCHEMBL10633653 0.82 MEN1 (0.58) MAPTALDH1A1POLBHPGDHSD17B10
SCHEMBL4592022 0.81 CNR2 (0.46) CNR2KMOCYP19A1
SCHEMBL9356103 0.81 CCR1 (0.40) GFERMAPTALDH1A1POLBHPGD
SCHEMBL6550571 0.81 RAB9A (0.59) MAPTALDH1A1POLBHPGDHSD17B10
SCHEMBL29595186 0.81 CCR1 (0.40) GFERMAPTALDH1A1POLBHPGD

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 GFER 4005/4885MAPT 2093/4885ALDH1A1 40/4885

“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.