SCHEMBL2234397

SCHEMBL2234397

CCCCCCCCCCc1nc(N(C)C)nc(OC)c1Br

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALOX5 P09917 3/20 0.31
PTGS2 P35354 3/20 0.31
GLS2 Q9UI32 1/20 0.31
KCNH2 Q12809 1/20 0.30

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
SCHEMBL2237432 1.00 MEN1 (0.33) MEN1KMT2AALOX5PTGS2GLS2
SCHEMBL18029920 0.82 ALOX5 (0.36) ALOX5PTGS2
SCHEMBL2235320 0.82 ALOX5 (0.36) ALOX5PTGS2
SCHEMBL2234106 0.82 ALOX5 (0.36) ALOX5PTGS2
SCHEMBL15306040 0.82 KCNH2 (0.32) MEN1KMT2AKCNH2
SCHEMBL15306046 0.82 KCNH2 (0.32) MEN1KMT2AKCNH2
SCHEMBL15306043 0.81 MEN1 (0.38) MEN1KMT2A
SCHEMBL18005480 0.80 MEN1 (0.30) MEN1KMT2A
SCHEMBL18029865 0.80 NAAA (0.31) MEN1KMT2A
SCHEMBL18005307 0.80 MEN1 (0.30) MEN1KMT2A

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 MEN1 3951/4885KMT2A 4479/4885ALOX5 244/4885

“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.