SCHEMBL5452605

SCHEMBL5452605

O=C(CCl)N(Cc1ccccc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 1.00
RAB9A P51151 5/20 1.00
ALDH1A1 P00352 4/20 1.00
HTT P42858 3/20 1.00
PAX8 Q06710 3/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
GLA P06280 1/20 1.00
JAK2 O60674 2/20 0.72
RNF4 P78317 1/20 0.67
KMT2A Q03164 2/20 0.58
POLB P06746 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
TRPM8 Q7Z2W7 1/20 0.57
MITF O75030 1/20 0.52
MEN1 O00255 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
LTB4R2 Q9NPC1 1/20 0.51
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL7342035 0.89 NPC1 (0.79) NPC1RAB9AALDH1A1HTTPAX8
SCHEMBL23518793 0.86 RNF4 (0.85) NPC1RAB9AALDH1A1HTTPAX8
SCHEMBL18338252 0.85 RAB9A (1.00) NPC1RAB9AALDH1A1HTTPAX8
SCHEMBL27711364 0.85 RAB9A (0.72) NPC1RAB9AALDH1A1HTTPAX8
SCHEMBL20857045 0.83 RAB9A (0.69) NPC1RAB9AALDH1A1HTTPAX8
SCHEMBL5144037 0.83 NPC1 (0.71) NPC1RAB9AALDH1A1HTTPAX8
SCHEMBL5144036 0.83 ALDH1A1 (0.71) NPC1RAB9AALDH1A1HTTPAX8
SCHEMBL8181665 0.82 ALDH1A1 (0.70) NPC1RAB9AALDH1A1HTTPAX8
SCHEMBL21105957 0.82 RNF4 (0.79) NPC1RAB9AALDH1A1HTTPAX8
SCHEMBL1927016 0.82 ALDH1A1 (0.69) NPC1RAB9AALDH1A1HTTPAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691895-B2 Thrombopoietin activity modulating compounds and methods LIGAND PHARMACEUTICALS, INC. (US) 2010-04-06 US disclosed
US-20080146594-A1 THROMBOPOIETIN ACTIVITY MODULATING COMPOUNDS AND METHODS Ligand Pharmaceutical, Inc. (US) 2008-06-19 US disclosed
US-20080103190-A1 THROMBOPOIETIN ACTIVITY MODULATING COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 2008-05-01 US disclosed
US-7314887-B2 3'-{N'-[1-(3,4-Dimethyl-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidene]-hydrazino}-2'-hydroxy-biphenyl-3-carboxylic acid; recptor agonist LIGAND PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
US-7314887-B2 3'-{N'-[1-(3,4-Dimethyl-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidene]-hydrazino}-2'-hydroxy-biphenyl-3-carboxylic acid; recptor agonist LIGAND PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
US-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels IONIX PHARMACEUTICALS LIMITED (GB) 2007-02-22 US disclosed
EP-1660454-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS Vernalis (R&D) Limited (GB) 2006-05-31 EP disclosed
WO-2005005392-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-20 WO disclosed
US-5223529-A Nervous system and gastrointestinal disorders RHONE-POULENC SANTE (FR) 1993-06-29 US disclosed
EP-0115954-B1 BICYCLOOCTANE DERIVATIVES AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-08-19 EP disclosed
US-4680307-A Carbacyclin analogs SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-07-14 US disclosed
EP-0115954-A2 Bicyclooctane derivatives and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-08-15 EP 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 (3 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-20080146594-A1 THROMBOPOIETIN ACTIVITY MODULATING COMPOUNDS AND METHODS MPL, THPO, TEK NPC1 2423/4885RAB9A 2341/4885ALDH1A1 3117/4885
US-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels SCN1B, SCN1A, SCN10A NPC1 608/4885RAB9A 3011/4885ALDH1A1 489/4885
US-20080103190-A1 THROMBOPOIETIN ACTIVITY MODULATING COMPOUNDS AND METHODS MPL, THPO, TEK NPC1 2806/4885RAB9A 2434/4885ALDH1A1 3733/4885

“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.