SCHEMBL445658

SCHEMBL445658

[CH]c1c(CO)cnc(C)c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.63
ALDH1A1 P00352 4/20 0.63
HPGD P15428 4/20 0.63
HSD17B10 Q99714 1/20 0.63
LMNA P02545 4/20 0.58
PDXK O00764 3/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
AOX1 Q06278 1/20 0.56
TRIM24 O15164 1/20 0.54
TRIM33 Q9UPN9 1/20 0.54
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
GAA P10253 2/20 0.40
GFER P55789 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL445657 1.00 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL3442719 0.81 KDM4E (0.70) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL1049253 0.79 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10LMNA
Hydrochloric Acid SCHEMBL29733341 0.78 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10LMNA
Pyridoxine SCHEMBL30267871 0.78 HPGD (1.00) KDM4EALDH1A1HPGDHSD17B10LMNA
Pyridoxine SCHEMBL2322958 0.78 HPGD (1.00) KDM4EALDH1A1HPGDHSD17B10LMNA
Hydrochloric Acid SCHEMBL191715 0.78 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10LMNA
Pyridoxine SCHEMBL30877002 0.78 HPGD (1.00) KDM4EALDH1A1HPGDHSD17B10LMNA
Pyridoxine SCHEMBL3506 0.78 HPGD (1.00) KDM4EALDH1A1HPGDHSD17B10LMNA
Pyridoxine SCHEMBL3497798 0.76 HPGD (0.96) KDM4EALDH1A1HPGDHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028470-A1 Detection and Treatment of Schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2011-02-03 US claimed
US-20070123577-A1 Inhibitor of protein modification products formation TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2007-05-31 US claimed
EP-1693369-A1 PROTEIN MODIFIER PRODUCTION INHIBITOR TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2006-08-23 EP claimed
US-20140335517-A1 DETECTION AND TREATMENT OF SCHIZOPHRENIA RENASCIENCE CO LTD (JP) 2014-11-13 US disclosed
US-8809329-B2 Detection and treatment of schizophrenia TOKYO METROPOLITAN INSTITUTE OF MEDICAL SCIENCE (JP) 2014-08-19 US disclosed
EP-2662453-A2 Detection and treatment of schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2013-11-13 EP disclosed
US-20120065198-A2 Detection and Treatment of Schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2012-03-15 US disclosed
US-20110028470-A1 Detection and Treatment of Schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2011-02-03 US disclosed
EP-2189537-A1 DETECTION AND TREATMENT OF SCHIZOPHRENIA TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2010-05-26 EP disclosed
US-7645882-B2 Inhibitor of protein modification products formation TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2010-01-12 US disclosed
US-20070123577-A1 Inhibitor of protein modification products formation TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2007-05-31 US disclosed
EP-1693369-A1 PROTEIN MODIFIER PRODUCTION INHIBITOR TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2006-08-23 EP disclosed
EP-0315434-A2 Pyridoxal hydrazone derivatives their production and use and pharmaceutical compositions containing the same YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1989-05-10 EP 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-20070123577-A1 Inhibitor of protein modification products formation SERPINB6, PROC, PLPBP KDM4E 2177/4885ALDH1A1 3582/4885HPGD 699/4885
US-20110028470-A1 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 KDM4E 1357/4885ALDH1A1 240/4885HPGD 117/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 KDM4E 1357/4885ALDH1A1 240/4885HPGD 117/4885

“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.