SCHEMBL2299346

SCHEMBL2299346

Cc1nc(-n2c(C)ccc2C)nc(C)c1Br

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
ALDH1A1 P00352 5/20 0.35
GAA P10253 4/20 0.35
HPGD P15428 2/20 0.35
ALOX12 P18054 1/20 0.35
MPI P34949 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
GLA P06280 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.33
MYC P01106 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
NR4A1 P22736 1/20 0.31
TSHR P16473 1/20 0.31
USP2 O75604 1/20 0.30
TP53 P04637 1/20 0.30
HTT P42858 1/20 0.30
MAPT P10636 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
SCHEMBL1982188 0.82 KDM4E (0.41) KDM4E
SCHEMBL13052936 0.80 KDM4E (0.52) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL2297274 0.77 KDM4E (0.42) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL15870136 0.77 KDM4E (0.42) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL1982321 0.76 KDM4E (0.36) KDM4EGAA
SCHEMBL12681475 0.74 ADORA2A (0.43) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL8210001 0.73 ADORA2A (0.39) KDM4EALDH1A1HPGDTSHRTP53
SCHEMBL1987027 0.72 ADORA2A (0.38)
SCHEMBL1984496 0.72 ADORA2A (0.38)
SCHEMBL2299306 0.71 KDM4E (0.37) KDM4EALDH1A1GAAHPGDALOX12

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 KDM4E 3008/4885ALDH1A1 515/4885GAA 337/4885

“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.