SCHEMBL2236849

SCHEMBL2236849

Cc1nc(N(C)C)nc(CCCCCCCCCCOCc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.35
STAT3 P40763 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GBA1 P04062 1/20 0.34
BCHE P06276 2/20 0.33
NAAA Q02083 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
SCHEMBL2234769 0.88 BCHE (0.43) L3MBTL1TSHRSTAT3HTTSMN1; SMN2
SCHEMBL2236510 0.88 BCHE (0.43) L3MBTL1TSHRSTAT3HTTSMN1; SMN2
SCHEMBL2234253 0.87 LTA4H (0.39) L3MBTL1TSHRSTAT3HTTSMN1; SMN2
SCHEMBL2238440 0.87 BCHE (0.41) L3MBTL1TSHRSTAT3HTTSMN1; SMN2
SCHEMBL2233939 0.84 L3MBTL1 (0.45) L3MBTL1TDP1HRH4HRH3TSHR
SCHEMBL15306026 0.83 TSHR (0.41) L3MBTL1TDP1TSHRALDH1A1STAT3
SCHEMBL2235212 0.81 L3MBTL1 (0.43) L3MBTL1TDP1HRH4HRH3TSHR
SCHEMBL2300307 0.80 L3MBTL1 (0.42) L3MBTL1TDP1HRH4HRH3TSHR
SCHEMBL2236563 0.80 L3MBTL1 (0.49) L3MBTL1TDP1TSHRALDH1A1STAT3
SCHEMBL12351970 0.78 THRA (0.32) ALDH1A1SMN1; SMN2

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.