SCHEMBL1365147

SCHEMBL1365147

ClC1=Nc2ccc(Cl)cc2Oc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 11/20 0.58
HRH2 P25021 3/20 0.58
HRH1 P35367 3/20 0.58
HRH3 Q9Y5N1 1/20 0.58
MAPK1 P28482 1/20 0.56
CYP1A2 P05177 3/20 0.46
CYP2D6 P10635 3/20 0.46
DRD2 P14416 4/20 0.46
DRD4 P21917 4/20 0.46
ADRB2 P07550 2/20 0.46
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
HTR1A P08908 2/20 0.46
CHRM5 P08912 2/20 0.46
ADRA2A P08913 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
CHRM1 P11229 2/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
CHRM3 P20309 2/20 0.46

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
SCHEMBL123132 0.88 MAPK1 (0.71) HRH4HRH2HRH1HRH3MAPK1
SCHEMBL311434 0.86 CYP1A2 (0.60) HRH4HRH2HRH1HRH3MAPK1
SCHEMBL22077148 0.85 MAPK1 (0.58) HRH4HRH2HRH1HRH3MAPK1
SCHEMBL32662869 0.85 MAPK1 (0.58) HRH4HRH2HRH1HRH3MAPK1
SCHEMBL11099005 0.80 HRH4 (0.52) HRH4HRH2HRH1HRH3MAPK1
SCHEMBL23242612 0.80 HTR2A (0.50) HRH4HRH2HRH1HRH3MAPK1
SCHEMBL29800783 0.80 HTR2A (0.50) HRH4HRH2HRH1HRH3MAPK1
SCHEMBL5918369 0.76 MAPK1 (0.49) HRH4HRH2HRH1HRH3MAPK1
SCHEMBL23242608 0.76 HTR2A (0.52) HRH4HRH2HRH1HRH3MAPK1
SCHEMBL30950723 0.76 HTR2A (0.52) HRH4HRH2HRH1HRH3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase FMR LLC 2017-01-05 US disclosed
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase FMR LLC 2017-01-05 US disclosed
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase FMR LLC 2017-01-05 US disclosed
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors FMR LLC 2016-08-04 US disclosed
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors FMR LLC 2016-08-04 US disclosed
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors FMR LLC 2016-08-04 US disclosed
EP-2966078-A2 Inhibitors of histone deacetylase MethylGene Inc. (CA) 2016-01-13 EP disclosed
EP-2966078-A2 Inhibitors of histone deacetylase MethylGene Inc. (CA) 2016-01-13 EP disclosed
US-9193749-B2 Dibenzo[b,f][1,4]oxazepin-11-yl-N-hydroxybenzamides as HDAC inhibitors FORUM PHARMACEUTICALS, INC. (US) 2015-11-24 US disclosed
US-9193749-B2 Dibenzo[b,f][1,4]oxazepin-11-yl-N-hydroxybenzamides as HDAC inhibitors FORUM PHARMACEUTICALS, INC. (US) 2015-11-24 US disclosed
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE FMR LLC 2011-08-11 US disclosed
EP-2343286-A1 Dibenzo[b,f][1,4]oxazepine derivatives as inhibitors of histone deacetylase Methylgene, Inc. (CA) 2011-07-13 EP disclosed
WO-2009137462-A2 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE ENVIVO PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
US-20080207590-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-08-28 US disclosed
US-20080207590-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-08-28 US disclosed
US-20080207590-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-08-28 US disclosed
WO-2008055068-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-05-08 WO disclosed
EP-0035749-B1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM C.H. BOEHRINGER SOHN (DE) 1984-06-06 EP disclosed
US-4313931-A ANTIHISTAMINES, ANTISEROTONINE AGENTS, ANTIALLERGENS, BRONCHODILATOR AGENTS, ANTIANAPHYLACTIC AGENTS BOEHRINGER INGELHEIM KG (DE) 1982-02-02 US disclosed
EP-0035749-A1 Heterocyclic compounds, their preparation and pharmaceutical compositions containing them C.H. BOEHRINGER SOHN (DE) 1981-09-16 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 (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-20080207590-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC11 HRH4 1189/4885HRH2 1973/4885HRH1 1657/4885
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase HDAC5, KAT2A, HDAC1 HRH4 675/4885HRH2 1622/4885HRH1 1440/4885
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 HRH4 210/4885HRH2 520/4885HRH1 329/4885
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC11 HRH4 1189/4885HRH2 1973/4885HRH1 1657/4885

“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.