SCHEMBL2234253

SCHEMBL2234253

Cc1nc(N(C)C)nc(CCCCCCCCCCO)c1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.39
EPHX2 P34913 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
RRM1 P23921 1/20 0.36
TSHR P16473 1/20 0.36
BCHE P06276 3/20 0.35
STAT3 P40763 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGER4 P35408 2/20 0.34
PTGER3 P43115 2/20 0.34
PTGER2 P43116 2/20 0.34
PTGER1 P34995 1/20 0.34
ATP4A P20648 1/20 0.34
ATP4B P51164 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
LTB4R Q15722 1/20 0.34

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 0.89 BCHE (0.43) L3MBTL1TSHRBCHESTAT3HTT
SCHEMBL2236510 0.89 BCHE (0.43) L3MBTL1TSHRBCHESTAT3HTT
SCHEMBL2238440 0.88 BCHE (0.41) L3MBTL1TSHRBCHESTAT3HTT
SCHEMBL2236849 0.87 L3MBTL1 (0.43) L3MBTL1TSHRBCHESTAT3HTT
SCHEMBL15306026 0.84 TSHR (0.41) L3MBTL1TSHRBCHESTAT3HTT
SCHEMBL2236563 0.81 L3MBTL1 (0.49) L3MBTL1TSHRSTAT3HTTSMN1; SMN2
SCHEMBL12351996 0.81 LMNA (0.33) TSHRHTTSMN1; SMN2
SCHEMBL2234948 0.72 DHFR (0.51) L3MBTL1TSHRBCHE
SCHEMBL13096651 0.72 JAK2 (0.46) LTA4HEPHX2L3MBTL1TSHRSTAT3
SCHEMBL2236745 0.72 DHFR (0.51) L3MBTL1TSHRBCHE

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 LTA4H 1112/4885EPHX2 1470/4885L3MBTL1 2443/4885

“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.