SCHEMBL1361443

SCHEMBL1361443

CN(C#N)c1c(Cl)cccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 1/20 0.35
DOT1L Q8TEK3 1/20 0.34
PSMB8 P28062 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PYCR1 P32322 1/20 0.32
DYRK1A Q13627 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
GAA P10253 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL2095866 0.77 CYP1A2 (0.35) ALDH1A1KMT2ACYP1A2CYP2A6DOT1L
SCHEMBL11656389 0.74 TSHR (0.39) ALDH1A1KMT2AKDM4ECYP1A2CYP2A6
SCHEMBL16746561 0.72 CYP1A2 (0.43) ALDH1A1KMT2AKDM4ECYP1A2CYP2A6
SCHEMBL11048901 0.70 KMT2A (0.47) ALDH1A1KMT2AKDM4EL3MBTL1LMNA
SCHEMBL14382392 0.69 AOC3 (0.42) ALDH1A1CYP1A2CYP2A6DOT1LLMNA
SCHEMBL21111149 0.68 CYP1A2 (0.35) ALDH1A1KMT2ACYP1A2CYP2A6DOT1L
Acetonitrile SCHEMBL27536435 0.65 TSHR (0.46) ALDH1A1CYP1A2CYP2A6PSMB8LMNA
SCHEMBL11508215 0.65 ALDH1A1 (0.36) ALDH1A1KDM4EL3MBTL1LMNATSHR
SCHEMBL3787606 0.65 MAPT (0.44) ALDH1A1KMT2AKDM4EL3MBTL1CYP1A2
SCHEMBL19111974 0.65 TAAR1 (0.38) KDM4ECYP1A2CYP2A6DOT1LLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067614-B2 N-substituted (benzoimidazol-2-yl)phenylamines, processes for their preparation, their use as a medicament or diagnostic aid, and a medicament comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-11-29 US disclosed
US-20100168196-A1 N-Substituted (Benzoimidazol-2-yl)phenylamines, Processes for Their Preparation, Their Use as a Medicament or Diagnostic Aid, and a Medicament Comprising Them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-07-01 US disclosed
EP-1857445-B1 Substituted 2 amino imidazoles, method for their manufacture and their use as a drug or diagnostic and drug containing them SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-15 EP disclosed
US-20080275098-A1 Inhibit sodium proton exchangers; central nervous system, respiratory system, cardiovascular, urogenital, pyschological, biliary function and kidney disorders; sleep apnea, strokes; ketalization, acetalization, cyclization; similar to clonidine; hypotensive, antidiabetic, and antiischemic agents SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-11-06 US disclosed
US-20080275098-A1 Inhibit sodium proton exchangers; central nervous system, respiratory system, cardiovascular, urogenital, pyschological, biliary function and kidney disorders; sleep apnea, strokes; ketalization, acetalization, cyclization; similar to clonidine; hypotensive, antidiabetic, and antiischemic agents SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-11-06 US disclosed
US-20080275098-A1 Inhibit sodium proton exchangers; central nervous system, respiratory system, cardiovascular, urogenital, pyschological, biliary function and kidney disorders; sleep apnea, strokes; ketalization, acetalization, cyclization; similar to clonidine; hypotensive, antidiabetic, and antiischemic agents SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-11-06 US disclosed
US-7442717-B2 Substituted 2-aminoimidazoles, process for their preparation, their use as medicament or diagnostic aid SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-28 US disclosed
US-7442717-B2 Substituted 2-aminoimidazoles, process for their preparation, their use as medicament or diagnostic aid SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-28 US disclosed
US-7442717-B2 Substituted 2-aminoimidazoles, process for their preparation, their use as medicament or diagnostic aid SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-28 US disclosed
US-20080167359-A1 N-Substituted (Benzoimidazol-2-yl)phenylamines, Processes for Their Preparation, Their Use as a Medicament or Diagnostic Aid, and a Medicament Comprising Them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-07-10 US disclosed
EP-1592671-B1 N-SUBSTITUTED (BENZOIMIDAZOLE-2-YL) PHENYL AMINES, METHOD FOR THEIR PRODUCTION, THEIR USE AS A MEDICAMENT OR DIAGNOSTIC AGENT AND MEDICAMENT CONTAINING SAID SUBSTANCES SANOFI AVENTIS DEUTSCHLAND (DE) 2008-04-09 EP disclosed
EP-1857445-A2 Substituted 2 amino imidazoles, method for their manufacture and their use as a drug or diagnostic and drug containing them Sanofi-Aventis Deutschland GmbH (DE) 2007-11-21 EP disclosed
EP-1592669-B1 SUBSTITUTED 2-AMINOIMIDAZOLES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS A MEDICAMENT OR AS A DIAGNOSTIC REAGENT, AND MEDICAMENT CONTAINING THESE COMPOUNDS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-10-17 EP disclosed
EP-1592669-B1 SUBSTITUTED 2-AMINOIMIDAZOLES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS A MEDICAMENT OR AS A DIAGNOSTIC REAGENT, AND MEDICAMENT CONTAINING THESE COMPOUNDS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-10-17 EP disclosed
EP-1592669-A2 NOVEL SUBSTITUTED 2-AMINOIMIDAZOLES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS A MEDICAMENT OR AS A DIAGNOSTIC REAGENT, AND MEDICAMENT CONTAINING THESE COMPOUNDS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-09 EP disclosed
US-20050054705-A1 N-substituted (benzoimidazol-2-yl) phenylamines, process for their preparation, their use as medicament or diagnostic aid, and medicament comprising them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-03-10 US disclosed
US-20040259927-A1 Novel substituted 2-aminoimidazoles, process for their preparation, their use as medicament or diagnostic aid AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-12-23 US disclosed
WO-2004069806-A2 SUBSTITUTED 2-AMINOIMIDAZOLES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS A MEDICAMENT OR AS A DIAGNOSTIC REAGENT, AND MEDICAMENT CONTAINING THESE COMPOUNDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-19 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 (5 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-20040259927-A1 Novel substituted 2-aminoimidazoles, process for their preparation, their use as medicament or diagnostic aid NDUFAB1, ABAT, NDUFAF1 ALDH1A1 231/4885KMT2A 1388/4885KDM4E 2643/4885
US-20080167359-A1 N-Substituted (Benzoimidazol-2-yl)phenylamines, Processes for Their Preparation, Their Use as a Medicament or Diagnostic Aid, and a Medicament Comprising Them SLC10A1, SLC9A3, ABCB11 ALDH1A1 1564/4885KMT2A 2265/4885KDM4E 3412/4885
US-20080275098-A1 Inhibit sodium proton exchangers; central nervous system, respiratory system, cardiovascular, urogenital, pyschological, biliary function and kidney disorders; sleep apnea, strokes; ketalization, acetalization, cyclization; similar to clonidine; hypotensive, antidiabetic, and antiischemic agents ATP6V1B1, SLC10A1, GLS ALDH1A1 831/4885KMT2A 629/4885KDM4E 1280/4885
US-20100168196-A1 N-Substituted (Benzoimidazol-2-yl)phenylamines, Processes for Their Preparation, Their Use as a Medicament or Diagnostic Aid, and a Medicament Comprising Them SLC10A1, SLC9A3, ABCB11 ALDH1A1 1564/4885KMT2A 2265/4885KDM4E 3412/4885
US-20050054705-A1 N-substituted (benzoimidazol-2-yl) phenylamines, process for their preparation, their use as medicament or diagnostic aid, and medicament comprising them SLC10A1, SLC9A3, NHERF1 ALDH1A1 1528/4885KMT2A 2220/4885KDM4E 3436/4885

“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.