SCHEMBL2078280

SCHEMBL2078280

CCOC(=O)c1ccccc1OC(C)c1c(-c2ccccc2)n[nH]c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.47
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
JAK2 O60674 2/20 0.41
JAK3 P52333 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TSHR P16473 1/20 0.41
CYP1A2 P05177 4/20 0.40
CYP2C9 P11712 4/20 0.40
CYP2C19 P33261 4/20 0.40
CYP3A4 P08684 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL2077394 0.87 KDM4E (0.39) HPGDSMAPTALDH1A1LMNAKDM4E
SCHEMBL2076731 0.80 HPGDS (0.46) HPGDSMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL2078687 0.80 HPGDS (0.45) HPGDSMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL2078689 0.79 KDM4E (0.45) HPGDSMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL2078281 0.77 ADRA2A (0.36) HPGDSMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL3809182 0.76 RAB9A (0.44) MAPTSMN1; SMN2ALDH1A1LMNAJAK2
SCHEMBL2077716 0.72 RAB9A (0.37) HPGDSSMN1; SMN2LMNAMAPK1ADORA3
SCHEMBL28020518 0.71 TSHR (0.65) MAPTSMN1; SMN2ALDH1A1MAPK1KDM4E
SCHEMBL2921221 0.70 JAK2 (0.57) HPGDSMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL5971733 0.69 HPGDS (0.55) HPGDSMAPTSMN1; SMN2ALDH1A1LMNA

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 1395/4885MAPT 925/4885SMN1; SMN2 3247/4885
US-20110059964-A1 PYRAZOLE DERIVATIVES AND USE THEREOF AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R HPGDS 1395/4885MAPT 925/4885SMN1; SMN2 3247/4885

“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.