SCHEMBL5036341

SCHEMBL5036341

O=[N+]([O-])c1cc(-c2ccc(Cl)c(Cl)c2)cnc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
DHFR P00374 1/20 0.45
AHR P35869 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMO O15229 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PDGFRB P09619 2/20 0.40
PDGFRA P16234 2/20 0.40
EIF4E P06730 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
POLB P06746 1/20 0.40
VCAM1 P19320 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
PKM P14618 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL5033960 0.85 MAPT (0.47) MAPTDHFRAHRHSD17B10KMO
SCHEMBL2325803 0.85 MAP4K4 (0.43) MAPTDHFRALDH1A1PDGFRBPDGFRA
SCHEMBL5036448 0.82 DHFR (0.54) MAPTDHFRAHRHSD17B10KMO
SCHEMBL5036447 0.79 CRHBP (0.42) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL8164085 0.78 CRHBP (0.62) MAPTALDH1A1TDP1KDM4EHSP90AA1
SCHEMBL3146522 0.74 GPR35 (0.44) MAPTAHRMEN1KMT2AALDH1A1
SCHEMBL5992360 0.73 VCAM1 (0.60) MAPTDHFRMEN1KMT2AALDH1A1
SCHEMBL4096354 0.73 DHFR (0.68) MAPTDHFRMEN1KMT2AALDH1A1
SCHEMBL6226628 0.73 EIF4E (0.48) MAPTAHRHSD17B10KMOMEN1
SCHEMBL2461199 0.71 VCAM1 (0.58) MAPTDHFRMEN1KMT2AALDH1A1

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 MAPT 4486/4885DHFR 360/4885AHR 596/4885

“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.