SCHEMBL2300307

SCHEMBL2300307

Cc1nc(-n2c(C)ccc2C)nc(CCCCCCCCCCOCc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ATP4A P20648 1/20 0.33
ATP4B P51164 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
STAT3 P40763 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 3/20 0.32
CYP2C19 P33261 2/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HIF1A Q16665 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL2297897 0.92 L3MBTL1 (0.37) L3MBTL1TDP1HRH4HRH3TSHR
SCHEMBL2303764 0.89 BCHE (0.39) L3MBTL1TSHRATP4AATP4BSTAT3
SCHEMBL2303798 0.89 BCHE (0.39) L3MBTL1TSHRATP4AATP4BSTAT3
SCHEMBL2300142 0.88 TSHR (0.38) L3MBTL1TDP1TSHRALDH1A1ATP4A
SCHEMBL20458700 0.85 L3MBTL1 (0.42) L3MBTL1TDP1HRH4HRH3ALDH1A1
SCHEMBL15306028 0.84 TSHR (0.40) L3MBTL1TDP1TSHRALDH1A1ATP4A
SCHEMBL15306017 0.83 CYP1A2 (0.35) L3MBTL1TSHRALDH1A1ATP4AATP4B
SCHEMBL2233939 0.82 L3MBTL1 (0.45) L3MBTL1TDP1HRH4HRH3TSHR
SCHEMBL2298198 0.82 L3MBTL1 (0.41) L3MBTL1TDP1HRH4HRH3TSHR
SCHEMBL2297824 0.81 L3MBTL1 (0.46) L3MBTL1TDP1TSHRALDH1A1ATP4A

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 L3MBTL1 2443/4885TDP1 752/4885HRH4 4325/4885

“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.