SCHEMBL1366166

SCHEMBL1366166

O=C(NO)c1cnc(N2C[C@@H]3CC2CN3C(=O)OC2CCOCC2)nc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.44
HDAC6 Q9UBN7 13/20 0.44
HDAC3 O15379 12/20 0.44
HDAC2 Q92769 12/20 0.44
GPR119 Q8TDV5 2/20 0.37
HDAC4 P56524 8/20 0.35
HDAC7 Q8WUI4 8/20 0.35
HDAC10 Q969S8 8/20 0.35
HDAC11 Q96DB2 8/20 0.35
HDAC8 Q9BY41 8/20 0.35
HDAC9 Q9UKV0 8/20 0.35
HDAC5 Q9UQL6 8/20 0.35
KDM1A O60341 3/20 0.35
ADAM10 O14672 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34

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
SCHEMBL1366165 1.00 HDAC1 (0.44) HDAC1HDAC6HDAC3HDAC2GPR119
SCHEMBL1365588 1.00 HDAC1 (0.44) HDAC1HDAC6HDAC3HDAC2GPR119
SCHEMBL1366231 0.91 HDAC6 (0.41) HDAC1HDAC6HDAC3HDAC2GPR119
SCHEMBL1366233 0.91 HDAC6 (0.41) HDAC1HDAC6HDAC3HDAC2GPR119
SCHEMBL1366229 0.91 HDAC6 (0.41) HDAC1HDAC6HDAC3HDAC2GPR119
SCHEMBL16302040 0.83 HDAC6 (0.46) HDAC1HDAC6HDAC3HDAC2GPR119
SCHEMBL1367410 0.79 HDAC1 (0.41) HDAC1HDAC6HDAC3HDAC2GPR119
SCHEMBL1367413 0.79 HDAC1 (0.41) HDAC1HDAC6HDAC3HDAC2GPR119
SCHEMBL1367411 0.79 HDAC1 (0.41) HDAC1HDAC6HDAC3HDAC2GPR119
SCHEMBL1367472 0.79 GPR119 (0.41) HDAC1HDAC6HDAC3HDAC2GPR119

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 15 patents. 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 claimed
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
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-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE ENVIVO PHARMACEUTICALS, INC. (US) 2015-03-19 US disclosed
EP-2343286-B1 Dibenzo[b,f][1,4]oxazepine derivatives as inhibitors of histone deacetylase METHYLGENE INC (CA) 2014-12-31 EP disclosed
US-20140179678-A1 METHODS OF TARGETED TREATMENT OF FRONTOTEMPORAL LOBAR DEGENERATION FMR LLC 2014-06-26 US disclosed
US-20140011988-A1 Dibenzo[B,F][1,4]Oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors FMR LLC 2014-01-09 US disclosed
US-8399452-B2 Anticancer agents; antiproliferative agenst; antiprotozoa agents METHYLGENE INC. (CA) 2013-03-19 US disclosed
EP-2489657-A2 Inhibitors of histone deacetylase MethylGene Inc. (CA) 2012-08-22 EP disclosed
US-20110288070-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE FMR LLC 2011-11-24 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
US-20080207590-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-08-28 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 (8 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-20110288070-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC2 HDAC1 1/4885HDAC6 9/4885HDAC3 14/4885
US-20080207590-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC11 HDAC1 1/4885HDAC6 11/4885HDAC3 4/4885
US-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC2 HDAC1 1/4885HDAC6 9/4885HDAC3 14/4885
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase HDAC5, KAT2A, HDAC1 HDAC1 3/4885HDAC6 11/4885HDAC3 15/4885
US-20140179678-A1 METHODS OF TARGETED TREATMENT OF FRONTOTEMPORAL LOBAR DEGENERATION GRN, PRPH, TDP2 HDAC1 4017/4885HDAC6 317/4885HDAC3 3574/4885
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 HDAC1 1/4885HDAC6 9/4885HDAC3 7/4885
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC11 HDAC1 1/4885HDAC6 11/4885HDAC3 4/4885
US-20140011988-A1 Dibenzo[B,F][1,4]Oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 HDAC1 1/4885HDAC6 9/4885HDAC3 7/4885

“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.