Sugi Predict

Sugi Predict / Compounds / SCHEMBL1367133

SCHEMBL1367133

SCHEMBL1367133

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 19/20 0.39
▸ HDAC3 O15379 18/20 0.39
▸ HDAC2 Q92769 18/20 0.39
▸ HDAC6 Q9UBN7 18/20 0.39
▸ HDAC4 P56524 14/20 0.39
▸ HDAC7 Q8WUI4 14/20 0.39
▸ HDAC10 Q969S8 14/20 0.39
▸ HDAC11 Q96DB2 14/20 0.39
▸ HDAC8 Q9BY41 14/20 0.39
▸ HDAC9 Q9UKV0 14/20 0.39
▸ HDAC5 Q9UQL6 14/20 0.39
▸ CYP2D6 P10635 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ PIK3CD O00329 1/20 0.35

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
SCHEMBL18356421 1.00 HDAC1 (0.39) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL16302035 0.88 HDAC3 (0.40) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL7953734 0.85 HDAC1 (0.51) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL1366260 0.85 HDAC1 (0.51) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL17425291 0.85 HDAC1 (0.51) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL1367514 0.83 PIK3CD (0.46) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL12143558 0.83 HDAC1 (0.52) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL1368056 0.83 HDAC1 (0.52) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL1365167 0.81 HDAC6 (0.46) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL1365316 0.81 HDAC6 (0.46) HDAC1HDAC3HDAC2HDAC6HDAC4

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 31 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
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-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE ENVIVO PHARMACEUTICALS, INC. (US) 2015-03-19 — — 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
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
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 (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 HDAC1 1/4885HDAC3 14/4885HDAC2 3/4885
US-20080207590-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC11 HDAC1 1/4885HDAC3 4/4885HDAC2 6/4885
US-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC2 HDAC1 1/4885HDAC3 14/4885HDAC2 3/4885
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase HDAC5, KAT2A, HDAC1 HDAC1 3/4885HDAC3 15/4885HDAC2 4/4885
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 HDAC1 1/4885HDAC3 7/4885HDAC2 2/4885
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC11 HDAC1 1/4885HDAC3 4/4885HDAC2 6/4885

“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.