SCHEMBL12352015

SCHEMBL12352015

CCCCOc1c(C)nc(N(C)C)nc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HIF1A Q16665 1/20 0.37
THRB P10828 2/20 0.36
CYP1A2 P05177 1/20 0.36
BLM P54132 1/20 0.36
CREBBP Q92793 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 1/20 0.35
CYP19A1 P11511 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
THRA P10827 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 2/20 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
SCHEMBL12352000 0.85 THRA (0.34) LMNASMN1; SMN2NPSR1HIF1ATHRB
SCHEMBL12351970 0.81 THRA (0.32) LMNASMN1; SMN2NPSR1HIF1ATHRB
SCHEMBL12351996 0.80 LMNA (0.33) LMNASMN1; SMN2THRBHSD17B10HTT
SCHEMBL12352016 0.77 DHFR (0.49) LMNACYP1A2HSD17B10HTT
SCHEMBL18029910 0.73 MEN1 (0.36) NPSR1THRBTHRAALDH1A1
SCHEMBL18005390 0.73 MEN1 (0.36) NPSR1THRBTHRAALDH1A1
SCHEMBL18005282 0.73 NR5A1 (0.38) THRBTHRA
SCHEMBL19146160 0.70 CDK1 (0.36) SMN1; SMN2THRBCYP1A2MAPTCYP19A1
SCHEMBL12352017 0.70 CYP2D6 (0.38) LMNASMN1; SMN2NPSR1CYP1A2HTT
SCHEMBL2236563 0.70 L3MBTL1 (0.49) LMNASMN1; SMN2HPGDHTTMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 LMNA 1653/4885SMN1; SMN2 1226/4885NPSR1 3477/4885

“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.