SCHEMBL5037035

SCHEMBL5037035

COc1ccnc(/C=C/c2ccnc(N)c2[N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 6/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TLR9 Q9NR96 1/20 0.38
CYP19A1 P11511 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPY1R P25929 1/20 0.36
LMNA P02545 3/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
POLB P06746 1/20 0.35
CTDSP1 Q9GZU7 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
SCHEMBL5037038 1.00 NOS3 (0.43) NOS3NOS1NOS2KDM4EMAPK1
SCHEMBL5033933 0.79 MAPT (0.48) KDM4EMAPK1MAPTKMT2AMEN1
SCHEMBL5033930 0.79 MAPT (0.48) KDM4EMAPK1MAPTKMT2AMEN1
SCHEMBL8568096 0.74 KMT2A (0.38) KDM4EMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL8568101 0.74 KMT2A (0.38) KDM4EMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL8566303 0.73 MAPT (0.40) KDM4EMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL8566306 0.73 MAPT (0.40) KDM4EMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL5036513 0.73 MAPT (0.45) KDM4EMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL5036514 0.73 MAPT (0.45) KDM4EMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL8570526 0.72 TAAR1 (0.43) KDM4EMAPTKMT2AMEN1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490366-B1 ALKOXYPYRIDINE-DERIVATIVES NYCOMED GMBH (DE) 2008-01-23 EP 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
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 NOS3 6/4885NOS1 4/4885NOS2 1/4885

“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.