SCHEMBL2076731

SCHEMBL2076731

CCOC(=O)c1ccccc1NC(C)c1c(-c2ccccc2)n[nH]c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.46
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 3/20 0.44
TSHR P16473 3/20 0.44
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK10 P53779 1/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
JAK2 O60674 2/20 0.43
JAK3 P52333 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CDC25B P30305 1/20 0.43
HPGD P15428 1/20 0.43
FTO Q9C0B1 1/20 0.42
METTL3 Q86U44 1/20 0.42
MAPT P10636 2/20 0.42
ATM Q13315 1/20 0.42
TP53 P04637 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
SCHEMBL2078689 0.86 KDM4E (0.45) HPGDSKDM4EALDH1A1HSD17B10TSHR
SCHEMBL2078682 0.86 MEN1 (0.42) KMT2ALMNAHPGDFTOMAPT
SCHEMBL2078280 0.80 HPGDS (0.47) HPGDSKDM4EALDH1A1TSHRMAPK1
SCHEMBL2078687 0.79 HPGDS (0.45) HPGDSKDM4EALDH1A1HSD17B10TSHR
SCHEMBL10388909 0.75 KDM4E (0.57) KDM4EALDH1A1HSD17B10TSHRMAPK1
SCHEMBL2077686 0.72 FABP4 (0.41) KDM4EALDH1A1HSD17B10TSHRKMT2A
SCHEMBL10796053 0.72 TSHR (0.62) KDM4EALDH1A1HSD17B10TSHRMAPK1
SCHEMBL2921221 0.70 JAK2 (0.57) HPGDSKDM4EALDH1A1HSD17B10TSHR
SCHEMBL23144741 0.70 KDM4E (0.59) KDM4EALDH1A1HSD17B10TSHRMAPK1
SCHEMBL5971733 0.69 HPGDS (0.55) HPGDSKDM4EALDH1A1HSD17B10TSHR

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 HPGDS 1395/4885KDM4E 4058/4885ALDH1A1 2239/4885
US-20110059964-A1 PYRAZOLE DERIVATIVES AND USE THEREOF AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R HPGDS 1395/4885KDM4E 4058/4885ALDH1A1 2239/4885

“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.