SCHEMBL4952240

SCHEMBL4952240

N#Cc1ccc2nc(-c3ccc(Br)cc3)cn2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.68
ALDH1A3 P47895 3/20 0.63
NPC1 O15118 8/20 0.63
RAB9A P51151 8/20 0.63
PAX8 Q06710 2/20 0.63
ALDH1A1 P00352 6/20 0.58
AHR P35869 2/20 0.56
KDM4E B2RXH2 5/20 0.55
POLB P06746 2/20 0.55
SMN1; SMN2 Q16637 4/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
GAA P10253 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49

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
Bromide SCHEMBL1691490 0.98 APP (0.67) APPALDH1A3NPC1RAB9APAX8
SCHEMBL2427884 0.91 ALDH1A3 (0.68) APPALDH1A3NPC1RAB9APAX8
SCHEMBL4952001 0.89 ALDH1A3 (0.78) APPALDH1A3NPC1RAB9APAX8
SCHEMBL2128252 0.86 APP (0.74) APPALDH1A3NPC1RAB9APAX8
SCHEMBL5301325 0.85 ALDH1A3 (0.86) APPALDH1A3NPC1RAB9APAX8
SCHEMBL2126826 0.85 APP (0.68) APPALDH1A3NPC1RAB9APAX8
SCHEMBL14046613 0.84 ALDH1A3 (0.81) APPALDH1A3NPC1RAB9APAX8
SCHEMBL4954159 0.83 ALDH1A3 (0.58) APPALDH1A3NPC1RAB9APAX8
SCHEMBL4954009 0.83 ALDH1A3 (0.88) APPALDH1A3NPC1RAB9APAX8
SCHEMBL7605200 0.82 NPC1 (0.77) APPALDH1A3NPC1RAB9APAX8

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
WO-2013040527-A1 ANTIMICROBIAL COMPOUNDS MICROBIOTIX, INC. (US) 2013-03-21 WO disclosed
WO-2013040527-A1 ANTIMICROBIAL COMPOUNDS MICROBIOTIX, INC. (US) 2013-03-21 WO disclosed
US-7432278-B2 Dicationic imidazo[1,2-a]pyridines and 5,6,7,8-tetrahydro-imidazo[1,2-a]pyridines as antiprotozoal agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2008-10-07 US disclosed
EP-1745045-A2 NOVEL DICATIONIC IMIDAZO 1,2-a PYRIDINES AND 5,6,7,8-TE TRAHYDRO-IMIDAZO 1,2a PYRIDINES AS ANTIPROTOZOAL AGENTS The University of North Carolina at Chapel Hill (US) 2007-01-24 EP disclosed
US-20050282853-A1 Novel dicationic imidazo[1,2-a]pyridines and 5,6,7,8,-tetrahydro-imidazo[1,2,-a]pyridines as antiprotozoal agents BOYKIN DAVID W 2005-12-22 US disclosed
WO-2005086808-A2 NOVEL DICATIONIC IMIDAZO[1,2-a]PYRIDINES AND 5,6,7,8-TETRAHYDRO-IMIDAZO[1,2a]PYRIDINES AS ANTIPROTOZOAL AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-09-22 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 (1 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-20050282853-A1 Novel dicationic imidazo[1,2-a]pyridines and 5,6,7,8,-tetrahydro-imidazo[1,2,-a]pyridines as antiprotozoal agents PBRM1, QDPR, DHPS APP 4309/4885ALDH1A3 1894/4885NPC1 3238/4885

“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.