SCHEMBL1784068

SCHEMBL1784068

CC1=C(C)C(=O)C(CCNS(C)(=O)=O)=C(C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 4/20 0.39
ALOX15 P16050 4/20 0.39
POLB P06746 1/20 0.38
NQO2 P16083 1/20 0.38
RECQL P46063 1/20 0.34
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
CDC25B P30305 1/20 0.33
GRIA4 P48058 1/20 0.31
MTNR1A P48039 1/20 0.31
IDO1 P14902 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL1658968 0.78 ALOX15 (0.38) MAPTKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL1659359 0.72 TAAR1 (0.56) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL12421898 0.71 ALDH1A1 (0.38) MAPTKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL1783809 0.71 KDM4E (0.42) MAPTKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL1656636 0.70 ALDH1A1 (0.65) ALDH1A1POLBMEN1KMT2A
SCHEMBL23640239 0.69 MAPT (0.42) MAPTALDH1A1ALOX15PTPN2PTPN1
SCHEMBL9578634 0.69 MAPT (0.52) MAPTKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL22026825 0.67 ALOX15 (0.40) MAPTALDH1A1ALOX15PTPN2PTPN1
SCHEMBL10446588 0.67 MAPT (0.44) MAPTALDH1A1ALOX15PTPN2PTPN1
SCHEMBL1658977 0.67 MAPT (0.35) MAPTKDM4EALDH1A1ALOX15PTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2262508-B1 SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES BIOELECTRON TECH CORP (US) 2018-10-03 EP claimed
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES EDISON PHARMACEUTICALS, INC. (US) 2014-11-06 US claimed
US-20110124679-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES PTC THERAPEUTICS, INC. 2011-05-26 US claimed
EP-2262508-B1 SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES BIOELECTRON TECH CORP (US) 2018-10-03 EP disclosed
US-9090576-B2 2-substituted-p-quinone derivatives for treatment of oxidative stress diseases EDISON PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES EDISON PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-8716527-B2 2-substituted-p-quinone derivatives for treatment of oxidative stress diseases EDISON PHARMACEUTICALS, INC. (US) 2014-05-06 US disclosed
US-20110124679-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES PTC THERAPEUTICS, INC. 2011-05-26 US disclosed
EP-2262508-A2 SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES Edison Pharmaceuticals, Inc. (US) 2010-12-22 EP disclosed
WO-2009111576-A2 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES EDISON PHARMACEUTICALS, INC. (US) 2009-09-11 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 (2 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-20110124679-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 MAPT 616/4885KDM4E 3048/4885HPGD 133/4885
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 MAPT 616/4885KDM4E 3048/4885HPGD 133/4885

“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.