SCHEMBL5033869

SCHEMBL5033869

O=[N+]([O-])c1cc(CCc2ccccc2)cnc1Cl

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 7/20 0.62
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
PKM P14618 1/20 0.43
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
GSR P00390 1/20 0.41
TXNRD1 Q16881 1/20 0.41
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
VCAM1 P19320 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 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
SCHEMBL5038107 0.82 PIN1 (0.51) PIN1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL5036446 0.82 PIN1 (0.51) PIN1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL27743531 0.81 PIN1 (0.40) PIN1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL487814 0.78 PIN1 (0.39) PIN1MAPTSMN1; SMN2PKMTXNRD1
SCHEMBL19072274 0.78 SMN1; SMN2 (0.40) PIN1RAB9AMAPTSMN1; SMN2VCAM1
SCHEMBL27324878 0.78 PIN1 (0.39) PIN1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL487553 0.78 PIN1 (0.39) PIN1MAPTSMN1; SMN2PKMMEN1
SCHEMBL10366552 0.77 HTT (0.47) PIN1RAB9AMAPTSMN1; SMN2PKM
SCHEMBL27885519 0.77 CYP1A2 (0.42) PIN1MAPTMEN1KMT2AVCAM1
SCHEMBL6097504 0.77 PIN1 (0.56) PIN1RAB9ANPC1MAPTSMN1; SMN2

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 PIN1 2277/4885RAB9A 3706/4885NPC1 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.