SCHEMBL5037025

SCHEMBL5037025

Nc1ncc(CC2CCCCC2)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.40
CCNA2 P20248 1/20 0.40
CCNA1 P78396 1/20 0.40
GSTP1 P09211 1/20 0.36
GSTM2 P28161 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ATG4B Q9Y4P1 1/20 0.34
CXCR4 P61073 1/20 0.34
HTT P42858 3/20 0.33
INPPL1 O15357 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
FEN1 P39748 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
SCHEMBL5036457 0.83 ATG4B (0.37) CDK2GSTP1GSTM2MEN1KMT2A
SCHEMBL5038127 0.83 GSTP1 (0.36) CDK2GSTP1GSTM2MEN1KMT2A
SCHEMBL5036361 0.77 HTR3A (0.38) FEN1
SCHEMBL5043251 0.71 FBP1 (0.42) INPPL1MAPTALDH1A1SMN1; SMN2GAA
SCHEMBL27508151 0.70 HRH4 (0.42) CDK2CCNA2CCNA1FEN1
SCHEMBL16563403 0.70 TDP1 (0.37) CDK2MEN1KMT2AINPPL1MAPT
SCHEMBL5881717 0.70 CDK2 (0.40) CDK2
SCHEMBL5036446 0.70 PIN1 (0.51) MEN1KMT2AHTTMAPTRAB9A
SCHEMBL6712835 0.69 MAPT (0.56) MEN1KMT2AHTTMAPTRAB9A
SCHEMBL9367583 0.68 TDP1 (0.48) MEN1KMT2AINPPL1MAPTALDH1A1

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 CDK2 405/4885CCNA2 1262/4885CCNA1 2055/4885

“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.