SCHEMBL42215

SCHEMBL42215

O=C(O)c1ccc([N+](=O)[O-])c(NCCCN2CCOCC2)n1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
MAPT P10636 5/20 0.53
POLB P06746 2/20 0.53
PKM P14618 1/20 0.53
LMNA P02545 4/20 0.52
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
CYP2C19 P33261 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
SCHEMBL40662 0.89 HRH3 (0.50) KDM4EMAPTPOLBPKMLMNA
SCHEMBL41573 0.86 MEN1 (0.50) KDM4EMAPTPOLBPKMLMNA
SCHEMBL45665 0.84 MAPT (0.56) KDM4EMAPTPOLBPKMLMNA
SCHEMBL46867 0.82 MAPT (0.47) KDM4EMAPTPOLBPKMLMNA
SCHEMBL20945467 0.78 MAPT (0.67) KDM4EMAPTPOLBPKMLMNA
SCHEMBL6526938 0.77 CYP2C19 (0.53) KDM4EMAPTPOLBPKMLMNA
SCHEMBL41694 0.76 HRH3 (0.48) KDM4EMAPTPOLBLMNAHTT
SCHEMBL11360877 0.74 ALDH1A1 (0.52) MAPTPOLBPKMLMNAHTT
SCHEMBL10069657 0.73 HRH3 (0.43) KDM4EMAPTALDH1A1GAA
SCHEMBL7972316 0.72 MAPT (0.72) KDM4EMAPTPOLBPKMLMNA

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 KDM4E 2619/4885MAPT 3453/4885POLB 4219/4885
US-20160296507-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MC4R, MC5R, MC1R KDM4E 2810/4885MAPT 3371/4885POLB 4344/4885

“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.