SCHEMBL5446255

SCHEMBL5446255

Cc1c(-c2ccccc2)c(-c2ccc(Cl)cc2)n(Cc2ccccc2)c(=O)c1C#N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.60
ALDH1A1 P00352 9/20 0.55
KDM4E B2RXH2 8/20 0.55
HPGD P15428 6/20 0.55
RXFP1 Q9HBX9 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
PPARG P37231 1/20 0.55
NCOA2 Q15596 1/20 0.55
NCOA1 Q15788 1/20 0.55
NCOA3 Q9Y6Q9 1/20 0.55
PDE1C Q14123 2/20 0.54
PDE9A O76083 1/20 0.54
AR P10275 1/20 0.51
POLB P06746 1/20 0.49
USP2 O75604 1/20 0.47
THRB P10828 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MET P08581 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47

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
SCHEMBL4841964 0.75 CNR1 (0.51) CNR1ALDH1A1KDM4EHPGDRXFP1
SCHEMBL2262624 0.75 CNR1 (0.46) CNR1ALDH1A1KDM4EHPGDRXFP1
SCHEMBL8076484 0.74 AR (0.50) CNR1ALDH1A1KDM4EHPGDRXFP1
SCHEMBL15018977 0.72 AR (0.48) CNR1ALDH1A1NPSR1PDE1CPDE9A
SCHEMBL3052703 0.71 HPGD (0.55) ALDH1A1KDM4EHPGDNPSR1PDE1C
SCHEMBL3060767 0.71 HPGD (0.55) ALDH1A1KDM4EHPGDNPSR1PDE1C
SCHEMBL2263754 0.69 KDM4E (0.61) CNR1ALDH1A1KDM4EHPGDRXFP1
SCHEMBL9248940 0.68 KDM4E (0.60) CNR1ALDH1A1KDM4EHPGDRXFP1
SCHEMBL27888661 0.68 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDNPSR1AR
SCHEMBL11604298 0.67 KDM4E (0.74) ALDH1A1KDM4EHPGDNPSR1PDE1C

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 2 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

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 CNR1 1/4885ALDH1A1 2993/4885KDM4E 1804/4885

“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.