SCHEMBL2967733

SCHEMBL2967733

Cc1cc([N+](=O)[O-])c(N)nc1OCC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 7/20 0.36
CFTR P13569 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
NUDT1 P36639 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 7/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
THRB P10828 1/20 0.34
G6PD P11413 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL11985300 0.82 MAPT (0.38) CNR2ALDH1A1CFTRCYP3A4MAPT
SCHEMBL11985301 0.81 PDGFRB (0.42) CNR2ALDH1A1CFTRMAPTKDM4E
SCHEMBL2977475 0.81 ALDH1A1 (0.36) ALDH1A1CYP3A4TSHRRECQLGAA
SCHEMBL22595337 0.80 CNR2 (0.39) CNR2ALDH1A1CFTRCYP3A4TSHR
SCHEMBL2983072 0.78 ALDH1A1 (0.42) ALDH1A1CYP3A4TSHRRECQLGAA
SCHEMBL30819099 0.74 MAPT (0.37) CNR2ALDH1A1CFTRCYP3A4GAA
SCHEMBL28415561 0.74 ALDH1A1 (0.40) ALDH1A1CFTRCYP3A4TSHRMAPT
SCHEMBL4826271 0.73 S1PR4 (0.42) CNR2ALDH1A1CFTRMAPTLMNA
SCHEMBL29532347 0.73 ALDH1A1 (0.39) ALDH1A1CFTRCYP3A4TSHRMAPT
SCHEMBL22868258 0.73 ALDH1A1 (0.39) ALDH1A1CFTRCYP3A4TSHRMAPT

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-7781452-B2 such as 5-(4-Fluorophenoxy)-2-(((4-methoxy-3-methyl-2-pyridinyl)methyl)sulfinyl)-3H-imidazo[4,5-b]pyridine, useful as a gastric acid secretion inhibitor, for the treatment of gastroesophageal reflux or ulcers; antisecretory agents EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-24 US disclosed
US-7781452-B2 such as 5-(4-Fluorophenoxy)-2-(((4-methoxy-3-methyl-2-pyridinyl)methyl)sulfinyl)-3H-imidazo[4,5-b]pyridine, useful as a gastric acid secretion inhibitor, for the treatment of gastroesophageal reflux or ulcers; antisecretory agents EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-24 US disclosed
US-7781452-B2 such as 5-(4-Fluorophenoxy)-2-(((4-methoxy-3-methyl-2-pyridinyl)methyl)sulfinyl)-3H-imidazo[4,5-b]pyridine, useful as a gastric acid secretion inhibitor, for the treatment of gastroesophageal reflux or ulcers; antisecretory agents EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-24 US disclosed
EP-1737862-A4 IMIDAZOPYRIDINE COMPOUND EISAI R&D MAN CO LTD (JP) 2007-11-28 EP disclosed
EP-1737862-A1 IMIDAZOPYRIDINE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-01-03 EP disclosed
US-20060167041-A1 such as 5-(4-Fluorophenoxy)-2-(((4-methoxy-3-methyl-2-pyridinyl)methyl)sulfinyl)-3H-imidazo[4,5-b]pyridine, useful as a gastric acid secretion inhibitor, for the treatment of gastroesophageal reflux or ulcers; antisecretory agents EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-07-27 US disclosed
US-20050272764-A1 Imidazopyridine compound EISAI CO., LTD. 2005-12-08 US disclosed
WO-2005103049-A1 IMIDAZOPYRIDINE COMPOUND EISAI R & D MANAGEMENT CO., LTD. (JP) 2005-11-03 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-20050272764-A1 Imidazopyridine compound H1-3, KCNH2, H1-4 CNR2 152/4885ALDH1A1 389/4885CFTR 1934/4885
US-20060167041-A1 such as 5-(4-Fluorophenoxy)-2-(((4-methoxy-3-methyl-2-pyridinyl)methyl)sulfinyl)-3H-imidazo[4,5-b]pyridine, useful as a gastric acid secretion inhibitor, for the treatment of gastroesophageal reflux or ulcers; antisecretory agents HRH2, HRH4, GRPR CNR2 586/4885ALDH1A1 710/4885CFTR 968/4885

“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.