SCHEMBL3608280

SCHEMBL3608280

Cc1nc(C)c(O)c(C)n1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.42
NQO2 P16083 1/20 0.37
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
SRC P12931 1/20 0.31
ERN1 O75460 1/20 0.30
HKDC1 Q2TB90 1/20 0.30

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
SCHEMBL31347383 0.84 EGLN1 (0.38) EGLN1NQO2
SCHEMBL8042375 0.80 EGLN1 (0.40) EGLN1NQO2
SCHEMBL10392936 0.79 MB (0.33) NQO2SRCERN1HKDC1
SCHEMBL2282478 0.74 NQO2 (0.33) EGLN1NQO2SRCERN1HKDC1
SCHEMBL12766702 0.74 ERN1 (0.38) EGLN1ALDH1A1ERN1
SCHEMBL28744682 0.73 NQO2 (0.39) NQO2NPSR1ALDH1A1
SCHEMBL4446227 0.73 ALDH1A1 (0.41) NQO2ALDH1A1MAPT
SCHEMBL2842749 0.73 ALDH1A1 (0.46) ALDH1A1MAPT
SCHEMBL8058009 0.72 EGLN1 (0.36) EGLN1
SCHEMBL11100217 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6835216-B2 For preventing free radical-mediated cellular damage or disruption; as oxidation inhibitors as additives to fuels, lubricants, rubber, polymers, chemicals, solvents and foodstuffs VANDERBILT UNIVERSITY 2004-12-28 US claimed
US-20130004972-A1 METHOD FOR THE DETECTION OF PREDIABETES FUKUOKA UNIVERSITY (JP) 2013-01-03 US disclosed
US-20130004972-A1 METHOD FOR THE DETECTION OF PREDIABETES FUKUOKA UNIVERSITY (JP) 2013-01-03 US disclosed
US-20100041683-A1 NOVEL CHAIN-BREAKING ANTIOXIDANTS PRATT DEREK A 2010-02-18 US disclosed
US-7547709-B2 Chain-breaking antioxidants VANDERBILT UNIVERSITY (US) 2009-06-16 US disclosed
US-20050065174-A1 Novel chain-breaking antioxidants VANDERBILT UNIVERSITY 2005-03-24 US disclosed
US-6835216-B2 For preventing free radical-mediated cellular damage or disruption; as oxidation inhibitors as additives to fuels, lubricants, rubber, polymers, chemicals, solvents and foodstuffs VANDERBILT UNIVERSITY 2004-12-28 US disclosed
US-20020143025-A1 Novel chain-breaking antioxidants VANDERBILT UNIVERSITY 2002-10-03 US disclosed
WO-2002000683-A2 NOVEL CHAIN-BREAKING ANTIOXIDANTS VANDERBILT UNIVERSITY (US) 2002-01-03 WO disclosed
US-4729987-A Insecticidal O,O-diethyl-O-(2-(1,1-dimethylethyl)-5-pyrimidinyl)-phosphorothioate THE DOW CHEMICAL COMPANY (US) 1988-03-08 US disclosed
US-4654329-A Insecticidal, miticidal or nematocidal phosphorus esters of 5-pyrimidinols THE DOW CHEMICAL COMPANY (US) 1987-03-31 US disclosed
US-4429125-A INSECTICIDES FOR APPLICATION TO SOILS THE DOW CHEMICAL CO. (US) 1984-01-31 US 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 (3 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-20050065174-A1 Novel chain-breaking antioxidants TTPA, GPX4, PNPO EGLN1 1895/4885NQO2 1387/4885NPSR1 4726/4885
US-20100041683-A1 NOVEL CHAIN-BREAKING ANTIOXIDANTS TTPA, GPX4, PNPO EGLN1 1895/4885NQO2 1387/4885NPSR1 4726/4885
US-20020143025-A1 Novel chain-breaking antioxidants TTPA, GPX4, PNPO EGLN1 1895/4885NQO2 1387/4885NPSR1 4726/4885

“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.