SCHEMBL5038010

SCHEMBL5038010

Nc1nccc(OCCc2ccccc2)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CYP11B1 P15538 8/20 0.47
CYP11B2 P19099 8/20 0.47
LTA4H P09960 2/20 0.46
MAPK14 Q16539 1/20 0.46
ROCK1 Q13464 2/20 0.44
MPO P05164 1/20 0.43
IDO1 P14902 1/20 0.41
CYP19A1 P11511 2/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 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
SCHEMBL5033887 0.83 LTA4H (0.67) SMN1; SMN2NPC1RAB9ACYP11B1CYP11B2
SCHEMBL9357574 0.81 LTA4H (0.70) SMN1; SMN2NPC1RAB9ACYP11B1CYP11B2
SCHEMBL5038254 0.78 CYP11B1 (0.50) SMN1; SMN2NPC1RAB9ACYP11B1CYP11B2
SCHEMBL5037080 0.74 IKBKB (0.49)
SCHEMBL5218648 0.74 MAOA (0.45) LTA4HMAPK14ROCK1ROCK2KCNH2
SCHEMBL17912813 0.73 CYP11B1 (0.56) SMN1; SMN2NPC1RAB9ACYP11B1CYP11B2
SCHEMBL5845971 0.73 LTA4H (0.68) SMN1; SMN2NPC1RAB9ACYP11B1CYP11B2
SCHEMBL7506608 0.73 CYP11B1 (0.47) CYP11B1CYP11B2LTA4HROCK1
SCHEMBL1146056 0.72 ADORA2A (0.42) LTA4HMAPK14ROCK1
SCHEMBL21463485 0.70 NPC1 (0.45) SMN1; SMN2NPC1RAB9ALTA4HROCK1

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 SMN1; SMN2 3238/4885NPC1 3452/4885RAB9A 3706/4885

“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.