SCHEMBL2977475

SCHEMBL2977475

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
RECQL P46063 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 5/20 0.34
LMNA P02545 2/20 0.34
XDH P47989 1/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
CYP2D6 P10635 1/20 0.33
HIF1A Q16665 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2967733 0.81 CNR2 (0.41) ALDH1A1CYP3A4TSHRRECQLGAA
SCHEMBL670632 0.81 DTYMK (0.36) ALDH1A1CYP3A4TSHRLMNAXDH
SCHEMBL672138 0.80 PDGFRB (0.41) ALDH1A1CYP1A2MAPTLMNASMN1; SMN2
SCHEMBL2983072 0.78 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP3A4TSHRRECQL
SCHEMBL28825412 0.71 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP3A4TSHRRECQL
SCHEMBL23620106 0.70 TDP1 (0.37) ALDH1A1CYP1A2CYP3A4TSHRRECQL
SCHEMBL25637795 0.69 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP3A4TSHRRECQL
SCHEMBL20516243 0.69 NPC1 (0.32) ALDH1A1CYP1A2CYP3A4TSHRRECQL
SCHEMBL18702635 0.69 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRRECQLMAPT
SCHEMBL29502898 0.69 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRRECQLMAPT

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 ALDH1A1 389/4885CYP1A2 331/4885CYP3A4 230/4885
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 ALDH1A1 710/4885CYP1A2 1413/4885CYP3A4 1282/4885

“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.