SCHEMBL2236745

SCHEMBL2236745

CCCCCCCCCCCCCCCCc1nc(N)nc(C)c1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.51
TLR8 Q9NR97 6/20 0.48
TLR7 Q9NYK1 5/20 0.48
TSHR P16473 1/20 0.45
CYP2D6 P10635 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BCHE P06276 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL2234948 1.00 DHFR (0.51) DHFRTLR8TLR7TSHRCYP2D6
SCHEMBL2238610 0.99 DHFR (0.49) DHFRTLR8TLR7TSHRCYP2D6
SCHEMBL15306027 0.90 TSHR (0.49) DHFRTLR8TLR7TSHRL3MBTL1
SCHEMBL2233939 0.88 L3MBTL1 (0.45) DHFRTLR8TLR7TSHRCYP2D6
SCHEMBL2234757 0.84 DHFR (0.40) DHFRTLR8TLR7TSHRCYP2D6
SCHEMBL2236510 0.83 BCHE (0.43) DHFRTSHRL3MBTL1BCHE
SCHEMBL2234769 0.83 BCHE (0.43) DHFRTSHRL3MBTL1BCHE
SCHEMBL12352102 0.83 DHFR (0.46) DHFRTLR8TLR7
SCHEMBL2238440 0.81 BCHE (0.41) TLR8TLR7TSHRL3MBTL1BCHE
SCHEMBL2303764 0.81 BCHE (0.39) DHFRTLR8TLR7TSHRL3MBTL1

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 8 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-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 DHFR 419/4885TLR8 4354/4885TLR7 4494/4885

“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.