SCHEMBL2233158

SCHEMBL2233158

COC(=O)c1c(O)cc(N(C)C)nc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.47
ACHE P22303 1/20 0.47
HPGD P15428 3/20 0.45
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
KDM4E B2RXH2 6/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
GLO1 Q04760 1/20 0.38
POLB P06746 3/20 0.37
GAA P10253 3/20 0.37
XDH P47989 2/20 0.37
LMNA P02545 2/20 0.37
NFKB1 P19838 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL2235859 0.83 KDM4E (0.39) CYP3A4ACHEHPGDKDM4EKMT2A
SCHEMBL15306009 0.80 KMT2A (0.40) CYP3A4ACHEHPGDKDM4EKMT2A
SCHEMBL9430272 0.80 CYP3A4 (0.53) CYP3A4ACHEHPGDCA12CA1
SCHEMBL30843858 0.80 CYP3A4 (0.53) CYP3A4ACHEHPGDCA12CA1
SCHEMBL9429719 0.74 CYP3A4 (0.47) CYP3A4ACHEHPGDCA12CA1
SCHEMBL6657446 0.70 NPC1 (0.51) CYP3A4HPGDCA12CA1CA2
SCHEMBL23574377 0.69 NPSR1 (0.46) CYP3A4ACHEHPGDCA12CA1
SCHEMBL1636307 0.69 CYP3A4 (0.62) CYP3A4ACHEHPGDCA12CA1
SCHEMBL29157474 0.69 KDM4E (0.50) CYP3A4ACHEHPGDCA12CA1
SCHEMBL6263859 0.68 CYP3A4 (0.51) CYP3A4ACHEHPGDCA12CA1

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 10 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

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 CYP3A4 452/4885ACHE 1039/4885HPGD 249/4885

“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.