SCHEMBL2236575

SCHEMBL2236575

CCCCCCCCCCc1cc(OC)nc(N(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
HRH2 P25021 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PDE10A Q9Y233 2/20 0.34
NOS2 P35228 1/20 0.34
ALOX5 P09917 6/20 0.34
PTGS2 P35354 3/20 0.34
GPR84 Q9NQS5 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ABCB11 O95342 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SCN3A Q9NY46 1/20 0.33

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
SCHEMBL2236133 1.00 KCNH2 (0.41) KCNH2HRH2HRH3PDE10ANOS2
SCHEMBL15306042 0.80 L3MBTL1 (0.38) NOS2KDM4EMAPTL3MBTL1LMNA
SCHEMBL18005485 0.80 SPHK1 (0.35) KCNH2
SCHEMBL18029911 0.80 SPHK1 (0.35) KCNH2
SCHEMBL18029922 0.80 SPHK1 (0.35) KCNH2
SCHEMBL18005365 0.80 SPHK1 (0.35) KCNH2
SCHEMBL18029843 0.80 SPHK1 (0.35) KCNH2
SCHEMBL18005398 0.80 SPHK1 (0.35) KCNH2
SCHEMBL20550106 0.80 SPHK1 (0.35) KCNH2
SCHEMBL11701013 0.80 L3MBTL1 (0.35) KDM4EMAPTL3MBTL1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536690-B1 MULTIFUNCTIONAL RADICAL QUENCHERS AND THEIR USE UNIV ARIZONA (US) 2018-08-08 EP disclosed
US-8952025-B2 Multifunctional radical quenchers and their uses ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-02-10 US disclosed
US-20130267546-A1 Multifunctional Radical Quenchers and Their Uses Arizona Board of Regents, a body corporate of the State of Arizona acting for and on behalf of Ari (US) 2013-10-10 US disclosed
EP-2536690-A1 MULTIFUNCTIONAL RADICAL QUENCHERS AND THEIR USE Arizona Board Of Regents (US) 2012-12-26 EP disclosed
WO-2011103536-A1 MULTIFUNCTIONAL RADICAL QUENCHERS AND THEIR USE ARIZONA BOARD OF REGENTS (US) 2011-08-25 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-20130267546-A1 Multifunctional Radical Quenchers and Their Uses SQOR, GSR, GPX4 KCNH2 2812/4885HRH2 3342/4885HRH3 4709/4885

“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.