SCHEMBL3345345

SCHEMBL3345345

O=[N+]([O-])c1c(OCc2ccccc2)ccnc1F

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MGMT P16455 2/20 0.48
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
HPD P32754 1/20 0.45
MAPT P10636 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
PPIF P30405 1/20 0.42
PPIA P62937 1/20 0.42
PIN1 Q13526 2/20 0.42
LTA4H P09960 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL5033867 0.86 CYP11B1 (0.50) CYP19A1CYP11B1CYP11B2NPC1RAB9A
SCHEMBL13424799 0.84 CYP19A1 (0.53) CYP19A1KMT2AMGMTHPDNPC1
SCHEMBL18396641 0.83 PIN1 (0.51) CYP19A1MEN1KMT2AMGMTCYP11B1
SCHEMBL5036374 0.83 MGMT (0.58) CYP19A1MEN1KMT2AMGMTCYP11B1
SCHEMBL15013285 0.80 MAPT (0.55) CYP19A1MEN1KMT2AMGMTCYP11B1
SCHEMBL29617906 0.79 HPD (0.52) CYP19A1MEN1KMT2AMGMTHPD
SCHEMBL2892659 0.79 HPD (0.52) CYP19A1MEN1KMT2AMGMTHPD
SCHEMBL16266200 0.78 MGMT (0.51) CYP19A1MEN1KMT2AMGMTCYP11B1
SCHEMBL5036343 0.77 PHOSPHO1 (0.37) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL31285352 0.76 MAPT (0.46) CYP19A1MEN1KMT2AMGMTCYP11B1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010046388-A1 SUBSTITUTED (AZA) -1-METHYL-1H-QUINOLIN-2-ONES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-29 WO disclosed
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 CYP19A1 2543/4885MEN1 4750/4885KMT2A 3139/4885

“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.