SCHEMBL1366064

SCHEMBL1366064

O=C(NO)c1ccc(N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.43
HDAC1 Q13547 6/20 0.43
NOTUM Q6P988 1/20 0.43
HDAC8 Q9BY41 6/20 0.43
HDAC11 Q96DB2 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
HDAC3 O15379 5/20 0.42
HDAC2 Q92769 3/20 0.42
SCN2B O60939 1/20 0.41
SCN1A P35498 1/20 0.41
SCN1B Q07699 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41

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
SCHEMBL1366260 0.86 HDAC1 (0.51) HDAC6HDAC1NOTUMHDAC8HDAC11
SCHEMBL7953734 0.86 HDAC1 (0.51) HDAC6HDAC1NOTUMHDAC8HDAC11
SCHEMBL17425291 0.86 HDAC1 (0.51) HDAC6HDAC1NOTUMHDAC8HDAC11
SCHEMBL1365245 0.85 HDAC11 (0.44) NOTUMHDAC11MEN1KMT2ASCN2B
SCHEMBL17416093 0.82 CCR2 (0.44) HDAC6HDAC1HDAC8
SCHEMBL1365154 0.82 CCR2 (0.44) HDAC6HDAC1HDAC8
SCHEMBL1366137 0.82 CCR2 (0.44) HDAC6HDAC1HDAC8
SCHEMBL1367688 0.82 HDAC6 (0.49) HDAC6HDAC1NOTUMHDAC8SCN2B
SCHEMBL1366277 0.82 HDAC6 (0.49) HDAC6HDAC1NOTUMHDAC8SCN2B
SCHEMBL1364785 0.82 HDAC6 (0.49) HDAC6HDAC1NOTUMHDAC8SCN2B

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 38 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 claimed
WO-2009137503-A1 HDAC INHIBITORS AND USES THEREOF ENVIVO PHARMACEUTICALS, INC. (US) 2009-11-12 WO claimed
EP-2049483-A2 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2009-04-22 EP claimed
WO-2008055068-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-05-08 WO claimed
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
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-9193749-B2 Dibenzo[b,f][1,4]oxazepin-11-yl-N-hydroxybenzamides as HDAC inhibitors FORUM PHARMACEUTICALS, INC. (US) 2015-11-24 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-2009137503-A1 HDAC INHIBITORS AND USES THEREOF ENVIVO PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
WO-2009137503-A1 HDAC INHIBITORS AND USES THEREOF ENVIVO PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
EP-2049483-A2 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2009-04-22 EP 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

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-20080207590-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC11 HDAC6 11/4885HDAC1 1/4885NOTUM 1875/4885
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase HDAC5, KAT2A, HDAC1 HDAC6 11/4885HDAC1 3/4885NOTUM 1916/4885
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 HDAC6 9/4885HDAC1 1/4885NOTUM 2202/4885

“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.