SCHEMBL5041183

SCHEMBL5041183

COCCOc1ccnc(F)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
RECQL P46063 1/20 0.38
S1PR4 O95977 6/20 0.37
IKBKB O14920 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
CYP19A1 P11511 1/20 0.35
EGFR P00533 1/20 0.35
MAPT P10636 3/20 0.34
POLB P06746 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
CTSB P07858 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 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
SCHEMBL8566254 0.82 IKBKB (0.42) KMT2AMEN1NPC1RAB9ARECQL
SCHEMBL5033867 0.79 CYP11B1 (0.50) NPC1RAB9ARECQLCYP19A1
SCHEMBL23352311 0.78 NPC1 (0.53) KMT2AMEN1NPC1RAB9ARECQL
SCHEMBL5036343 0.78 PHOSPHO1 (0.37) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL2060423 0.78 NPC1 (0.46) KMT2AMEN1NPC1RAB9ARECQL
SCHEMBL30870635 0.78 NPC1 (0.46) KMT2AMEN1NPC1RAB9ARECQL
SCHEMBL13424799 0.77 CYP19A1 (0.53) KMT2ANPC1RAB9ACYP19A1
SCHEMBL3345345 0.75 CYP19A1 (0.48) KMT2AMEN1NPC1RAB9ACYP19A1
SCHEMBL25435457 0.75 SMN1; SMN2 (0.50) KMT2AMEN1NPC1RAB9ARECQL
SCHEMBL8563136 0.73 IKBKB (0.45) KMT2AMEN1NPC1RAB9ARECQL

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 KMT2A 3139/4885MEN1 4750/4885NPC1 3452/4885

“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.