SCHEMBL6097504

SCHEMBL6097504

O=[N+]([O-])c1cc(Cl)ncc1CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 5/20 0.56
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
GSR P00390 1/20 0.42
TXNRD1 Q16881 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
VCAM1 P19320 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL5033869 0.77 PIN1 (0.62) PIN1NPC1RAB9AMAPTGSR
SCHEMBL23728850 0.76 MAPT (0.54) PIN1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7191430 0.74 ALDH1A1 (0.64) PIN1NPC1RAB9AMAPTALDH1A1
SCHEMBL28021054 0.74 CYP1A2 (0.59) NPC1RAB9AMAPTSMN1; SMN2CYP11B1
SCHEMBL28564776 0.73 RAB9A (0.59) PIN1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL15740633 0.72 MAPT (0.53) PIN1MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL27672998 0.72 RAB9A (0.56) PIN1NPC1RAB9AMAPTALDH1A1
SCHEMBL28555521 0.71 SMN1; SMN2 (0.59) PIN1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5036446 0.71 PIN1 (0.51) PIN1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5038107 0.71 PIN1 (0.51) PIN1NPC1RAB9AMAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 2277/4885NPC1 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.