SCHEMBL2236713

SCHEMBL2236713

CCCCCCCCCCCCCCCCc1nc(N(C)C)nc(C)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.35
KDM4E B2RXH2 2/20 0.33
THRB P10828 1/20 0.33
ALOX5 P09917 4/20 0.33
PTGS2 P35354 3/20 0.33
ESR1 P03372 2/20 0.33
ADRA2A P08913 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
TACR2 P21452 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SHBG P04278 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
HSPD1 P10809 1/20 0.33
ADRB3 P13945 1/20 0.33
HTR2C P28335 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
SCHEMBL2235262 1.00 TYR (0.35) TYRKDM4ETHRBALOX5PTGS2
SCHEMBL15305976 1.00 TYR (0.35) TYRKDM4ETHRBALOX5PTGS2
SCHEMBL2232923 0.98 TYR (0.33) TYRKDM4ETHRBALOX5PTGS2
SCHEMBL2233849 0.87 LMNA (0.31) THRBLMNAHSD17B10
SCHEMBL15306029 0.86 LMNA (0.36) KDM4ETHRBALDH1A1LMNAHSD17B10
SCHEMBL15305981 0.84 PTGS2 (0.33) TYRKDM4EALOX5PTGS2ESR1
SCHEMBL15305983 0.84 PTGS2 (0.33) TYRKDM4EALOX5PTGS2ESR1
SCHEMBL12352430 0.84 PTGS2 (0.33) TYRKDM4EALOX5PTGS2ESR1
SCHEMBL20458743 0.83 KCNH2 (0.34) TYRTHRBALDH1A1LMNAHSD17B10
SCHEMBL2234106 0.80 ALOX5 (0.36) ALOX5PTGS2

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 11 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
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-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-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
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
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
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 TYR 960/4885KDM4E 3008/4885THRB 3201/4885

“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.