SCHEMBL41573

SCHEMBL41573

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 2/20 0.50
KDM4E B2RXH2 2/20 0.49
ATM Q13315 1/20 0.49
MAPT P10636 3/20 0.48
PKM P14618 1/20 0.48
RAD52 P43351 2/20 0.48
UHRF1 Q96T88 1/20 0.48
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 3/20 0.47
RXFP1 Q9HBX9 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
RAB9A P51151 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
SCHEMBL41694 0.90 HRH3 (0.48) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL42215 0.86 KDM4E (0.54) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL4589313 0.80 ALDH1A1 (0.50) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL46867 0.79 MAPT (0.47) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL45665 0.79 MAPT (0.56) POLBKDM4EMAPTPKMMAPK1
SCHEMBL8246580 0.78 KDM4E (0.74) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL40662 0.76 HRH3 (0.50) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL4892950 0.76 MAPT (0.42) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL29235339 0.74 LMNA (0.56) MEN1KMT2APOLBKDM4EATM
SCHEMBL11360877 0.74 ALDH1A1 (0.52) MEN1KMT2APOLBMAPTPKM

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 MEN1 871/4885KMT2A 2174/4885POLB 4219/4885
US-20160296507-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MC4R, MC5R, MC1R MEN1 838/4885KMT2A 2223/4885POLB 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.