SCHEMBL45665

SCHEMBL45665

O=[N+]([O-])c1ccc(Br)nc1NCCCN1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
POLB P06746 2/20 0.56
PKM P14618 1/20 0.56
RAB9A P51151 1/20 0.53
KDM4E B2RXH2 3/20 0.52
HTT P42858 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 3/20 0.49
GSK3A P49840 2/20 0.48
GSK3B P49841 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL45134 0.88 HRH3 (0.53) MAPTPOLBPKMRAB9AKDM4E
SCHEMBL42215 0.84 KDM4E (0.54) MAPTPOLBPKMRAB9AKDM4E
SCHEMBL20945467 0.81 MAPT (0.67) MAPTPOLBPKMRAB9AKDM4E
SCHEMBL6526938 0.79 CYP2C19 (0.53) MAPTPOLBPKMRAB9AKDM4E
SCHEMBL41573 0.79 MEN1 (0.50) MAPTPOLBPKMRAB9AKDM4E
SCHEMBL11360877 0.79 ALDH1A1 (0.52) MAPTPOLBPKMHTTALDH1A1
SCHEMBL14247553 0.78 MAPT (0.67) MAPTPOLBPKMRAB9AKDM4E
SCHEMBL46867 0.75 MAPT (0.47) MAPTPOLBPKMRAB9AKDM4E
SCHEMBL7972316 0.75 MAPT (0.72) MAPTPOLBPKMRAB9AKDM4E
SCHEMBL11230034 0.75 MAPT (0.46) MAPTPOLBPKMRAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160296507-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS UNIVERSITE DE MONTREAL (CA) 2016-10-13 US disclosed
US-20160296507-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS UNIVERSITE DE MONTREAL (CA) 2016-10-13 US disclosed
US-20160296507-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS UNIVERSITE DE MONTREAL (CA) 2016-10-13 US disclosed
US-20130165426-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Université de Montréal (CA) 2013-06-27 US disclosed
US-20130165426-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Université de Montréal (CA) 2013-06-27 US disclosed
US-20130165426-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Université de Montréal (CA) 2013-06-27 US disclosed
WO-2012003576-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Université de Montréal (CA) 2012-01-12 WO disclosed
WO-2012003576-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Université de Montréal (CA) 2012-01-12 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-20130165426-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MC4R, MC5R, MC1R MAPT 3453/4885POLB 4219/4885PKM 2615/4885
US-20160296507-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MC4R, MC5R, MC1R MAPT 3371/4885POLB 4344/4885PKM 2701/4885

“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.