SCHEMBL503219

SCHEMBL503219

N=c1[nH]c2ccccc2nc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
KDM4E B2RXH2 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
ABCB11 O95342 1/20 0.54
TP53 P04637 1/20 0.54
PKM P14618 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
KMT2A Q03164 2/20 0.50
IDO1 P14902 1/20 0.50
MASP2 O00187 1/20 0.50
MEN1 O00255 1/20 0.50
NUDT1 P36639 1/20 0.50
AOC3 Q16853 1/20 0.50
AURKA O14965 1/20 0.48
JAK2 O60674 1/20 0.48
ABL1 P00519 1/20 0.48
NTRK1 P04629 1/20 0.48

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
SCHEMBL29615058 0.78 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AKDM4ENPSR1
SCHEMBL30170557 0.78 PLAUR (0.61) ALDH1A1NPC1RAB9AKDM4ENPSR1
SCHEMBL1029154 0.78 PLAUR (0.61) ALDH1A1NPC1RAB9AKDM4ENPSR1
SCHEMBL16065887 0.78 PLAUR (0.61) ALDH1A1NPC1RAB9AKDM4ENPSR1
SCHEMBL16065979 0.78 RAB9A (0.52) ALDH1A1NPC1RAB9AKDM4ENPSR1
SCHEMBL29437860 0.76 ALDH1A1 (0.60) ALDH1A1NPC1RAB9AKDM4ENPSR1
SCHEMBL75450 0.76 ALDH1A1 (0.60) ALDH1A1NPC1RAB9AKDM4ENPSR1
Fluoride SCHEMBL31379740 0.74 ALDH1A1 (0.58) ALDH1A1NPC1RAB9AKDM4ENPSR1
SCHEMBL28178955 0.74 ALDH1A1 (0.58) ALDH1A1NPC1RAB9AKDM4ENPSR1
SCHEMBL28329057 0.74 ALDH1A1 (0.58) ALDH1A1NPC1RAB9AKDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445678-B2 2-quinoxalinol salen compounds and uses thereof AUBURN UNIVERSITY (US) 2013-05-21 US disclosed
US-20120028362-A1 2-QUINOXALINOL SALEN COMPOUNDS AND USES THEREOF AUBURN UNIVERSITY (US) 2012-02-02 US disclosed
US-20090286968-A1 2-Quinoxalinol Salen Compounds and Uses Thereof AUBURN UNIVERSITY (US) 2009-11-19 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 (2 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-20090286968-A1 2-Quinoxalinol Salen Compounds and Uses Thereof NQO1, NQO2, SQOR ALDH1A1 1265/4885NPC1 4220/4885RAB9A 2387/4885
US-20120028362-A1 2-QUINOXALINOL SALEN COMPOUNDS AND USES THEREOF NQO1, NQO2, SQOR ALDH1A1 1265/4885NPC1 4220/4885RAB9A 2387/4885

“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.