SCHEMBL5358142

SCHEMBL5358142

O=C(O)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.49
MARS1 P56192 2/20 0.46
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
UCHL1 P09936 2/20 0.44
CNR1 P21554 1/20 0.43
GSK3B P49841 1/20 0.43
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
AURKA O14965 1/20 0.42
TPX2 Q9ULW0 1/20 0.42
EIF4E P06730 2/20 0.42
DYRK1A Q13627 1/20 0.42
MAPK14 Q16539 1/20 0.41
ALPL P05186 1/20 0.41
GRIK1 P39086 1/20 0.41
GRIA1 P42261 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
SCHEMBL5363100 0.92 GCGR (0.48) SRD5A2MARS1ALDH1A1TP53TSHR
SCHEMBL5252174 0.88 GSK3B (0.44) ALDH1A1TP53UCHL1CNR1GSK3B
SCHEMBL5358072 0.85 CNR1 (0.50) CNR1ALPL
SCHEMBL5355715 0.83 MAPK14 (0.50) GSK3BAURKATPX2DYRK1AMAPK14
SCHEMBL1404667 0.79 KMT2A (0.39) ALDH1A1SMN1; SMN2CNR1GAAAURKA
SCHEMBL5362396 0.78 CNR1 (0.46) TP53SMN1; SMN2CNR1MAPK14ALPL
SCHEMBL1404572 0.76 CNR1 (0.44) CNR1
SCHEMBL1404496 0.76 CNR1 (0.49) ALDH1A1TSHRCNR1GAA
SCHEMBL5363840 0.75 PDE10A (0.45) SRD5A2MARS1ALDH1A1TSHRCNR1
SCHEMBL6498907 0.74 ALDH1A1 (0.61) SRD5A2MARS1ALDH1A1TP53TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7271266-B2 Substituted 2,3-diphenyl pyridines MERCK & CO., INC. (US) 2007-09-18 US disclosed
US-20050182103-A1 Substituted 2,3-diphenyl pyridines MERCK SHARP & DOHME CORP. 2005-08-18 US disclosed
EP-1492784-A2 SUBSTITUTED 2,3-DIPHENYL PYRIDINES Merck & Co., Inc. (US) 2005-01-05 EP disclosed
WO-2003082191-A2 SUBSTITUTED 2,3-DIPHENYL PYRIDINES MERCK & CO., INC. (US) 2003-10-09 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-20050182103-A1 Substituted 2,3-diphenyl pyridines CNR1, CNR2, MAG SRD5A2 4833/4885MARS1 3465/4885ALDH1A1 2993/4885

“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.