SCHEMBL5033960

SCHEMBL5033960

O=[N+]([O-])c1cc(-c2ccc(Cl)c(Cl)c2)cnc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
DHFR P00374 1/20 0.47
AHR P35869 1/20 0.44
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
POLB P06746 1/20 0.42
PDGFRB P09619 2/20 0.42
PDGFRA P16234 2/20 0.42
KDM4A O75164 1/20 0.40
KDM4B O94953 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5036341 0.85 MAPT (0.45) MAPTDHFRAHRHSD17B10MEN1
SCHEMBL5036448 0.85 DHFR (0.54) MAPTDHFRAHRHSD17B10MEN1
SCHEMBL28882711 0.84 TSHR (0.44) MAPTDHFRAHRMEN1KMT2A
SCHEMBL5033872 0.81 MAPT (0.42) MAPTDHFRMEN1KMT2AALDH1A1
SCHEMBL13825168 0.81 TDP1 (0.46) MAPTDHFRMEN1KMT2AALDH1A1
SCHEMBL11232501 0.79 PIK3CD (0.48) MAPTDHFRMEN1KMT2AALDH1A1
SCHEMBL25887640 0.77 MAPT (0.38) MAPTDHFRMEN1KMT2AALDH1A1
SCHEMBL11232440 0.76 CYP11B1 (0.49) ALDH1A1PDGFRBPDGFRACYP1A2CYP3A4
SCHEMBL5992360 0.75 VCAM1 (0.60) MAPTDHFRMEN1KMT2AALDH1A1
SCHEMBL4096354 0.75 DHFR (0.68) 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.