SCHEMBL1005324

SCHEMBL1005324

[C]1=CSNN1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
ADRB1 P08588 1/20 0.30
HTR3A P46098 1/20 0.30
HTR3D Q70Z44 1/20 0.30
HTR3C Q8WXA8 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL4824473 0.61 GAA (0.35) GSK3AGSK3BGAAHTR3EHTR3B
SCHEMBL1328455 0.61 GAA (0.35) GSK3AGSK3BGAAHTR3EHTR3B
SCHEMBL11731597 0.58 CFTR (0.38) GSK3AGSK3BGAAALDH1A1NPSR1
SCHEMBL1029480 0.56 MEN1 (0.32) GSK3AGSK3BGAAALDH1A1NPSR1
SCHEMBL9360920 0.54
SCHEMBL447261 0.53 GSK3A (1.00) GSK3AGSK3BGAAALDH1A1
SCHEMBL5012600 0.53 GAA (0.52) GSK3AGSK3BGAAALDH1A1NPSR1
SCHEMBL1007068 0.51 KDM4E (0.35) GSK3AGSK3BGAANPSR1HTR3E
SCHEMBL11953121 0.51 KDM4E (0.46) GSK3AGSK3BGAAALDH1A1
SCHEMBL11861466 0.51 KDM4E (0.67) GAAALDH1A1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1056880-A Novel pyrido [2, 3-f ] [1, 4] thiazepines and pyrido [3, 2-b ] [1, 5] benzothiazepines ORTHO PHARMA CORP (US) 1991-12-11 CN claimed
CN-1989106-B N-hydroxyamide derivatives and their use MERCK SERONO SA 2013-12-04 CN disclosed
US-8247437-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-08-21 US disclosed
US-8198280-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-06-12 US disclosed
CN-101208320-B N-hydroxyamide derivatives and use thereof MERCK SERONO SA 2012-01-11 CN disclosed
US-20110281891-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF MERCK SERONO SA (CH) 2011-11-17 US disclosed
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 US disclosed
US-8008302-B2 ((2S,3S) N,2-dihydroxy-5-methyl-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}hexanamide; for treatment and/or prevention of disorders related to autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, stroke, cancer, pre-term labor, endometriosis MERCK SERONO SA (CH) 2011-08-30 US disclosed
EP-1951687-B1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF MERCK SERONO SA (CH) 2011-08-24 EP disclosed
US-7998964-B2 hydroxy((2S)-2-{[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl}-4-methylpentyl)formamide ; for treatment and/or prevention of disorders related to autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative disorders, stroke, cancer, pre-term labor, endometriosis MERCK SERONO S.A. (CH) 2011-08-16 US disclosed
EP-1951687-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF Laboratoires Serono SA (CH) 2008-08-06 EP disclosed
CN-101208320-A N-hydroxyamide derivatives and use thereof APPLIED RESEARCH SYSTEMS (CH) 2008-06-25 CN disclosed
US-20080090838-A1 N-Hydroxyamide Derivatives and Use Thereof LABORATOIRES SERONO S.A. (CH) 2008-04-17 US disclosed
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-01-24 US disclosed
EP-1844032-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2007-10-17 EP disclosed
CN-1989106-A N-hydroxyamide derivatives and their use APPLIED RESEARCH SYSTEMS (AN) 2007-06-27 CN disclosed
WO-2007060132-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2007-05-31 WO disclosed
EP-1771421-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2007-04-11 EP disclosed
WO-2006079653-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2006-08-03 WO disclosed
WO-2006010751-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-02-02 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 (4 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-20080090838-A1 N-Hydroxyamide Derivatives and Use Thereof HNMT, ALOX5, HCAR2 GSK3A 1671/4885GSK3B 1835/4885GAA 1950/4885
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF HNMT, HCAR2, HPGD GSK3A 1422/4885GSK3B 1585/4885GAA 2031/4885
US-20110281891-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF HNMT, HCAR2, HPGD GSK3A 1422/4885GSK3B 1585/4885GAA 2031/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD GSK3A 1566/4885GSK3B 1764/4885GAA 2072/4885

“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.