SCHEMBL5364612

SCHEMBL5364612

COc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)cc1C(=O)N1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.50
RAB9A P51151 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
CNR1 P21554 4/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
POLB P06746 1/20 0.46
MALT1 Q9UDY8 1/20 0.45
KMT2A Q03164 1/20 0.45
SCN9A Q15858 2/20 0.44

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
SCHEMBL5363376 0.85 CNR1 (0.64) CNR1MALT1
SCHEMBL5363340 0.83 MALT1 (0.52) TDP1CNR1MALT1
SCHEMBL5359065 0.82 MALT1 (0.51) CNR1MALT1
SCHEMBL5355634 0.81 CNR1 (0.61) RAB9ACNR1NPC1MALT1
SCHEMBL5354056 0.78 CNR1 (0.64) RAB9ACNR1LMNAKMT2A
SCHEMBL5354246 0.78 CNR1 (0.51) CNR1LMNATSHRPOLBMALT1
SCHEMBL5359424 0.77 CNR1 (0.53) RAB9ACNR1NPC1LMNAPOLB
SCHEMBL5359050 0.77 CNR1 (0.77) CNR1
SCHEMBL5358197 0.77 CNR1 (0.48) CNR1MALT1
SCHEMBL14408026 0.73 SQOR (0.53) RAB9ATDP1CNR1NPC1LMNA

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 10 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 claimed
US-20050182103-A1 Substituted 2,3-diphenyl pyridines MERCK SHARP & DOHME CORP. 2005-08-18 US claimed
EP-1492784-A2 SUBSTITUTED 2,3-DIPHENYL PYRIDINES Merck & Co., Inc. (US) 2005-01-05 EP claimed
WO-2003082191-A2 SUBSTITUTED 2,3-DIPHENYL PYRIDINES MERCK & CO., INC. (US) 2003-10-09 WO claimed
US-7271266-B2 Substituted 2,3-diphenyl pyridines MERCK & CO., INC. (US) 2007-09-18 US disclosed
US-7271266-B2 Substituted 2,3-diphenyl pyridines MERCK & CO., INC. (US) 2007-09-18 US disclosed
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 PDK2 2744/4885RAB9A 1832/4885TDP1 2160/4885

“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.