SCHEMBL1365324

SCHEMBL1365324

O=C(NO)c1cnc(N2C[C@@H]3C[C@H]2CN3c2cccc(OC(F)F)c2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
GFER P55789 1/20 0.41
ADAM17 P78536 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
HDAC3 O15379 13/20 0.40
HDAC1 Q13547 13/20 0.40
HDAC2 Q92769 13/20 0.40
HDAC6 Q9UBN7 13/20 0.40
HDAC4 P56524 11/20 0.40
HDAC7 Q8WUI4 11/20 0.40
HDAC10 Q969S8 11/20 0.40
HDAC11 Q96DB2 11/20 0.40
HDAC8 Q9BY41 11/20 0.40
HDAC9 Q9UKV0 11/20 0.40
HDAC5 Q9UQL6 11/20 0.40
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
CYP2D6 P10635 2/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL12143558 0.89 HDAC1 (0.52) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL1368056 0.89 HDAC1 (0.52) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL1365163 0.88 HDAC1 (0.49) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL16302041 0.88 ALOX15 (0.43) ALOX15GFERADAM17NR1H2NR1H3
SCHEMBL1367514 0.85 PIK3CD (0.46) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL1365167 0.83 HDAC6 (0.46) GFERHDAC3HDAC1HDAC2HDAC6
SCHEMBL1365316 0.83 HDAC6 (0.46) GFERHDAC3HDAC1HDAC2HDAC6
SCHEMBL7962628 0.83 HDAC6 (0.46) GFERHDAC3HDAC1HDAC2HDAC6
SCHEMBL17425291 0.82 HDAC1 (0.51) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL7953734 0.82 HDAC1 (0.51) HDAC3HDAC1HDAC2HDAC6HDAC4

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 24 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
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-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE ENVIVO PHARMACEUTICALS, INC. (US) 2015-03-19 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-8399452-B2 Anticancer agents; antiproliferative agenst; antiprotozoa agents METHYLGENE INC. (CA) 2013-03-19 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-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
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
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 (6 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 ALOX15 4115/4885GFER 3922/4885ADAM17 2133/4885
US-20080207590-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC11 ALOX15 4620/4885GFER 4012/4885ADAM17 1541/4885
US-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC2 ALOX15 4115/4885GFER 3922/4885ADAM17 2133/4885
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase HDAC5, KAT2A, HDAC1 ALOX15 4023/4885GFER 4035/4885ADAM17 2189/4885
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 ALOX15 1705/4885GFER 3344/4885ADAM17 560/4885
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC11 ALOX15 4620/4885GFER 4012/4885ADAM17 1541/4885

“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.