SCHEMBL503175

SCHEMBL503175

Nc1nc2c(N)cccc2nc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
MAPT P10636 6/20 0.42
KDM4E B2RXH2 5/20 0.42
HSD17B10 Q99714 3/20 0.42
HIF1A Q16665 1/20 0.42
GAA P10253 5/20 0.39
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 4/20 0.39
RAB9A P51151 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HPGD P15428 4/20 0.38
CYP1A2 P05177 1/20 0.37
NPC1 O15118 3/20 0.36
POLB P06746 3/20 0.36
GLA P06280 2/20 0.36
LMNA P02545 1/20 0.36
PTBP1 P26599 1/20 0.36
RCE1 Q9Y256 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35

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
SCHEMBL2865383 0.88 ACHE (0.46) ACHEMAPTKDM4EHSD17B10HIF1A
SCHEMBL28042624 0.83 ALDH1A1 (0.56) ACHEMAPTKDM4EHSD17B10HIF1A
SCHEMBL31355397 0.78 MAPT (0.52) ACHEMAPTKDM4EHSD17B10HIF1A
SCHEMBL8001010 0.76 MAPT (0.67) ACHEMAPTKDM4EHSD17B10GAA
SCHEMBL2293195 0.74 MAPT (0.56) ACHEMAPTKDM4EHSD17B10HIF1A
SCHEMBL10389118 0.71 MAPT (0.53) MAPTKDM4EHSD17B10HIF1AGAA
SCHEMBL13172436 0.71 MEN1 (0.58) ACHEMAPTKDM4EHSD17B10HIF1A
Bicarbonate SCHEMBL28041891 0.69 ALDH1A1 (0.56) ACHEMAPTKDM4EHSD17B10GAA
SCHEMBL9669331 0.69 TYMS (0.45) ACHEMAPTKDM4EHSD17B10HIF1A
SCHEMBL2869218 0.68 ALDH1A1 (0.45) ACHEMAPTKDM4EHSD17B10HIF1A

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 ACHE 492/4885MAPT 3402/4885KDM4E 2589/4885
US-20120028362-A1 2-QUINOXALINOL SALEN COMPOUNDS AND USES THEREOF NQO1, NQO2, SQOR ACHE 492/4885MAPT 3402/4885KDM4E 2589/4885

“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.