SCHEMBL2078682

SCHEMBL2078682

CC(Nc1ccccc1C(=O)O)c1c(-c2ccccc2)n[nH]c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
FTO Q9C0B1 7/20 0.41
KDM4C Q9H3R0 1/20 0.41
FABP4 P15090 5/20 0.40
FABP3 P05413 3/20 0.40
FABP5 Q01469 3/20 0.40
NPSR1 Q6W5P4 1/20 0.38
USP2 O75604 1/20 0.38
MT-CO2 P00403 1/20 0.38
LMNA P02545 1/20 0.38
TTR P02766 1/20 0.38
PLA2G1B P04054 1/20 0.38
CYP1A2 P05177 1/20 0.38
PGR P06401 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
AR P10275 1/20 0.38

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
SCHEMBL2076731 0.86 HPGDS (0.46) KMT2AFTOLMNAMAPTHPGD
SCHEMBL2077686 0.83 FABP4 (0.41) MEN1KMT2AFTOKDM4CFABP4
SCHEMBL2077394 0.76 KDM4E (0.39) MEN1KMT2AUSP2LMNACYP1A2
SCHEMBL2077682 0.75 KDM4E (0.37) FTOFABP4NPSR1LMNAHPGD
SCHEMBL2078689 0.71 KDM4E (0.45) KMT2AFTONPSR1LMNAMAPT
SCHEMBL2078927 0.71 HPGD (0.35) NPSR1LMNAADRA2AADORA3HPGD
SCHEMBL4591111 0.70 KDM4C (0.68) MEN1KMT2AKDM4CFABP4LMNA
SCHEMBL29590040 0.70 KDM4C (0.68) MEN1KMT2AKDM4CFABP4LMNA
SCHEMBL28564932 0.70 KDM4C (0.68) MEN1KMT2AKDM4CFABP4LMNA
SCHEMBL28566314 0.70 KDM4C (0.68) MEN1KMT2AKDM4CFABP4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059964-A1 PYRAZOLE DERIVATIVES AND USE THEREOF AS OREXIN RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2011-03-10 US disclosed
US-7659298-B2 2-(3-Phenyl-5-chloro-1-methyl-1H-pyrazol-4-ylmethylsulphanyl)-N-quinolin-3-ylbenzamide; 2-(3-Phenyl-5-chloro-1-methyl-1H-pyrazol-4-ylmethoxy)-N-naphthalin-2-ylbenzamide; obesity, including obesity of the non-insuline-dependent diabetes patients, sleeping disorders, stroke, nausea and vomiting SANOFI-AVENTIS (FR) 2010-02-09 US disclosed
EP-1699454-B1 PYRAZOLE DERIVATIVES AND USE THEREOF AS OREXIN RECEPTOR ANTAGONISTS SANOFI AVENTIS (FR) 2009-08-05 EP disclosed
US-20070021459-A1 PYRAZOLE DERIVATIVES AND USE THEREOF AS OREXIN RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2007-01-25 US disclosed
EP-1699454-A1 PYRAZOLE DERIVATIVES AND USE THEREOF AS OREXIN RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2006-09-13 EP disclosed
WO-2005060959-A1 PYRAZOLE DERIVATIVES AND USE THEREOF AS OREXIN RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2005-07-07 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 (2 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-20070021459-A1 PYRAZOLE DERIVATIVES AND USE THEREOF AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R MEN1 1259/4885KMT2A 3410/4885FTO 3122/4885
US-20110059964-A1 PYRAZOLE DERIVATIVES AND USE THEREOF AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R MEN1 1259/4885KMT2A 3410/4885FTO 3122/4885

“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.