SCHEMBL5041243

SCHEMBL5041243

O=[N+]([O-])c1cc(Cc2ccc(Br)cc2)cnc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SNCA P37840 2/20 0.38
ATG4B Q9Y4P1 1/20 0.38
ERN1 O75460 1/20 0.37
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
XDH P47989 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL14065340 0.85 ALDH1A1 (0.42) MAPTNPC1RAB9APOLBMEN1
SCHEMBL5036418 0.83 EPHX2 (0.40) MAPTNPC1RAB9AATG4BPOLB
SCHEMBL5038066 0.83 PIN1 (0.37) MAPTNPC1RAB9AATG4BPOLB
SCHEMBL5545829 0.81 SNCA (0.40) MAPTSNCAPOLBIDO1TDO2
SCHEMBL5036447 0.78 CRHBP (0.42) MAPTNPC1RAB9AERN1POLB
SCHEMBL202907 0.76 ERN1 (0.46) MAPTSNCAERN1POLBSMN1; SMN2
Bromide SCHEMBL7430793 0.75 ERN1 (0.45) MAPTERN1POLBSMN1; SMN2IDO1
SCHEMBL4584917 0.74 TDP1 (0.39) MAPTNPC1RAB9AATG4BPOLB
SCHEMBL5038107 0.74 PIN1 (0.51) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL14065337 0.74 PIN1 (0.42) MAPTNPC1RAB9APOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490366-B1 ALKOXYPYRIDINE-DERIVATIVES NYCOMED GMBH (DE) 2008-01-23 EP disclosed
CN-1307176-C Novel alkoxypyridine derivatives ALTANA PHARMA AG (DE) 2007-03-28 CN disclosed
US-7138399-B2 2-[2-(4-alkoxypyridin-2-yl)alkyl])-3H-imidazo[4,5-b]pyridine derivatives and 8-[2-(4-alkoxypyridin-2-yl)alkyl])-9H-purine derivatives; used to treat an acute inflammatory disease in which the activity of inducible NO-synthase is involved ALTANA PHARMA AG (DE) 2006-11-21 US disclosed
US-20050171125-A1 2-[2-(4-alkoxypyridin-2-yl)alkyl])-3H-imidazo[4,5-b]pyridine derivatives and 8-[2-(4-alkoxypyridin-2-yl)alkyl])-9H-purine derivatives; used to treat an acute inflammatory disease in which the activity of inducible NO-synthase is involved ALTANA PHARMA AG (DE) 2005-08-04 US disclosed
CN-1642955-A Novel alkoxypyridine derivatives ALTANA PHARMA AG (DE) 2005-07-20 CN disclosed
EP-1490366-A1 NOVEL ALKOXYPYRIDINE-DERIVATIVES ALTANA Pharma AG (DE) 2004-12-29 EP disclosed
WO-2003080607-A1 NOVEL ALKOXYPYRIDINE-DERIVATIVES ALTANA PHARMA AG (DE) 2003-10-02 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 (1 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-20050171125-A1 2-[2-(4-alkoxypyridin-2-yl)alkyl])-3H-imidazo[4,5-b]pyridine derivatives and 8-[2-(4-alkoxypyridin-2-yl)alkyl])-9H-purine derivatives; used to treat an acute inflammatory disease in which the activity of inducible NO-synthase is involved NOS2, PNP, PTGIS MAPT 4486/4885NPC1 3452/4885RAB9A 3706/4885

“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.