SCHEMBL1364828

SCHEMBL1364828

COC(=O)c1cc([N+](=O)[O-])c(Oc2ccccc2C(=O)OC)s1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ USP10 Q14694 1/20 0.54
▸ ALDH1A1 P00352 6/20 0.50
▸ TDP1 Q9NUW8 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ VCAM1 P19320 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MEN1 O00255 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
SCHEMBL21436430 0.84 USP10 (0.65) USP10ALDH1A1TDP1POLBKMT2A
SCHEMBL31386905 0.82 ALDH1A1 (0.49) USP10ALDH1A1TDP1POLBKMT2A
SCHEMBL16317866 0.81 SLC6A3 (0.47) ALDH1A1POLBKMT2ASMN1; SMN2NPSR1
SCHEMBL8076951 0.81 L3MBTL1 (0.62) ALDH1A1TDP1POLBKMT2ASMN1; SMN2
SCHEMBL12142666 0.81 ALDH1A1 (0.53) ALDH1A1TDP1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL2681396 0.80 HSPB1 (0.52) USP10ALDH1A1TDP1KMT2AVCAM1
SCHEMBL2680454 0.79 MAPT (0.55) USP10ALDH1A1TDP1POLBKMT2A
SCHEMBL8075212 0.78 TDP1 (0.51) ALDH1A1TDP1POLBKMT2ASMN1; SMN2
SCHEMBL2680991 0.78 TDP1 (0.63) USP10ALDH1A1TDP1POLBSMN1; SMN2
SCHEMBL4580873 0.77 ALDH1A1 (0.60) ALDH1A1TDP1KMT2AVCAM1SMN1; SMN2

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 16 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 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-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE ENVIVO PHARMACEUTICALS, INC. (US) 2015-03-19 — — 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
WO-2009137499-A1 INHIBITORS OF HISTONE DEACETYLASE 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
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 (7 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 USP10 2039/4885ALDH1A1 1127/4885TDP1 338/4885
US-20080207590-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC11 USP10 1935/4885ALDH1A1 540/4885TDP1 1331/4885
US-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC2 USP10 2039/4885ALDH1A1 1127/4885TDP1 338/4885
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase HDAC5, KAT2A, HDAC1 USP10 1851/4885ALDH1A1 1086/4885TDP1 406/4885
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 USP10 2334/4885ALDH1A1 235/4885TDP1 2110/4885
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC11 USP10 1935/4885ALDH1A1 540/4885TDP1 1331/4885
US-20140011988-A1 Dibenzo[B,F][1,4]Oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 USP10 2334/4885ALDH1A1 235/4885TDP1 2110/4885

“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.

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