SCHEMBL650413

SCHEMBL650413

CC(C)(C)N(C(=O)O)c1ccc(-c2cccs2)cc1N

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.51
HDAC1 Q13547 17/20 0.51
HDAC2 Q92769 17/20 0.51
HDAC3 O15379 14/20 0.50

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
SCHEMBL650663 0.82 MAPT (0.45) HDAC1HDAC2HDAC3
SCHEMBL653107 0.79 KCNH2 (0.49) KCNH2HDAC1
SCHEMBL651416 0.79 HDAC1 (0.58) KCNH2HDAC1HDAC2HDAC3
SCHEMBL1931248 0.74 HDAC1 (0.55) HDAC1HDAC2HDAC3
SCHEMBL1512084 0.73 KEAP1 (0.42) HDAC1HDAC2HDAC3
SCHEMBL21857924 0.73 KCNH2 (0.62) KCNH2HDAC1HDAC2HDAC3
SCHEMBL2212580 0.73 HDAC1 (0.54) HDAC1HDAC2HDAC3
SCHEMBL1931687 0.72 HDAC1 (0.53) HDAC1HDAC2HDAC3
SCHEMBL247809 0.72 KDM4E (0.38) HDAC1HDAC2HDAC3
SCHEMBL17507930 0.71 ALDH1A1 (0.51) HDAC2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210332036-A1 PYRIMIDINE AND PYRAZINE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS LLC (US) 2021-10-28 US disclosed
EP-3725787-A1 PIPERIDINE DERIVATIVES AS HDAC1/2 INHIBITORS Regenacy Pharmaceuticals, Inc. (US) 2020-10-21 EP disclosed
US-20170240535-A1 HDAC1/2 INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE AND/OR COGNITIVE DISORDERS REGENACY PHARMACEUTICALS, LLC 2017-08-24 US disclosed
WO-2017136451-A1 HDAC1/2 INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE AND/OR COGNITIVE DISORDERS REGENACY PHARMACEUTICALS, LLC (US) 2017-08-10 WO disclosed
US-20160137630-A1 INDUCTION OF GATA2 BY HDAC1 AND HDAC2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2016-05-19 US disclosed
US-8349825-B2 Spirocyclic compounds MERCK SHARP & DOHME CORP. (US) 2013-01-08 US disclosed
US-8119819-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-02-21 US disclosed
US-8119685-B2 Disubstituted aniline compounds MERCK SHARP & DOHME CORP. (US) 2012-02-21 US disclosed
US-8119652-B2 Aryl-fused spirocyclic compounds MERCK SHARP & DOHME CORP. (US) 2012-02-21 US disclosed
US-7981874-B2 Phosphorus derivatives as histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-07-19 US disclosed
US-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-10-29 US disclosed
US-20090239849-A1 Aryl-Fused Spirocyclic Compounds MERCK SHARP & DOHME LLC 2009-09-24 US disclosed
US-7524969-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-28 US disclosed
EP-2049124-A2 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS Merck & Co., Inc. (US) 2009-04-22 EP disclosed
WO-2009020589-A1 SILICON DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2009-02-12 WO disclosed
WO-2008010985-A2 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2008-01-24 WO disclosed
US-20040082576-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-29 US disclosed
EP-1411929-A2 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-28 EP disclosed
WO-2003090869-A1 LXR MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-06 WO disclosed
WO-2002058698-A2 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-01 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-20160137630-A1 INDUCTION OF GATA2 BY HDAC1 AND HDAC2 INHIBITORS GATAD2B, GATAD2A, HDAC2 KCNH2 3364/4885HDAC1 4/4885HDAC2 3/4885
US-20210332036-A1 PYRIMIDINE AND PYRAZINE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 KCNH2 3888/4885HDAC1 1/4885HDAC2 2/4885
US-20090239849-A1 Aryl-Fused Spirocyclic Compounds HDAC1, BRDT, HDAC5 KCNH2 2306/4885HDAC1 1/4885HDAC2 6/4885
US-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC5, PPM1A, PTEN KCNH2 2991/4885HDAC1 4/4885HDAC2 8/4885
US-20040082576-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators MLYCD, ME3, ACACA KCNH2 4004/4885HDAC1 228/4885HDAC2 623/4885
US-20170240535-A1 HDAC1/2 INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE AND/OR COGNITIVE DISORDERS HDAC1, HDAC2, HDAC11 KCNH2 4701/4885HDAC1 1/4885HDAC2 2/4885

“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.