Entinostat

Entinostat

SCHEMBL148309

Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9

The experimentally established mechanism targets of Entinostat. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 known ✓ Q13547 19/20 1.00
HDAC3 known ✓ O15379 11/20 1.00
HDAC2 known ✓ Q92769 11/20 1.00
HDAC8 known ✓ Q9BY41 9/20 1.00
HDAC4 known ✓ P56524 8/20 1.00
HDAC7 known ✓ Q8WUI4 8/20 1.00
HDAC10 known ✓ Q969S8 8/20 1.00
HDAC11 known ✓ Q96DB2 8/20 1.00
HDAC6 known ✓ Q9UBN7 8/20 1.00
HDAC9 known ✓ Q9UKV0 8/20 1.00
HDAC5 known ✓ Q9UQL6 8/20 1.00
KDM1A O60341 1/20 1.00
CYP3A4 P08684 1/20 1.00
F3 P13726 1/20 1.00
NCOR2 Q9Y618 1/20 1.00
KCNH2 Q12809 1/20 0.78
NAMPT P43490 2/20 0.68

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
Entinostat SCHEMBL29838042 1.00 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC8HDAC4
Entinostat SCHEMBL29387345 1.00 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC8HDAC4
Entinostat SCHEMBL29499905 1.00 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC8HDAC4
Entinostat SCHEMBL2407986 0.99 HDAC1 (0.98) HDAC1HDAC3HDAC2HDAC8HDAC4
Entinostat SCHEMBL2409897 0.99 HDAC1 (0.98) HDAC1HDAC3HDAC2HDAC8HDAC4
Entinostat SCHEMBL2412431 0.97 HDAC1 (0.94) HDAC1HDAC3HDAC2HDAC8HDAC4
Entinostat SCHEMBL2412014 0.96 HDAC1 (0.93) HDAC1HDAC3HDAC2HDAC8HDAC4
Entinostat SCHEMBL2413749 0.96 HDAC1 (0.93) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL2415852 0.96 HDAC1 (0.92) HDAC1HDAC3HDAC2HDAC8HDAC4
Entinostat SCHEMBL2408179 0.95 HDAC1 (0.91) HDAC1HDAC3HDAC2HDAC8HDAC4

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

Appears in 7357 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12637498-B2 PDLIM2 as a biomarker for cancer and as an anti-cancer treatment target University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2026-05-26 US claimed
CN-116209439-B Cereblon protein modulators Saint Jude Children's Research Hospital Ltd. (US) 2026-05-26 CN claimed
CN-122075711-A Application of histone deacetylase inhibitor HDACi in preparation of medicines for preventing and/or treating ammonia-induced encephalopathy 2026-05-26 CN claimed
CN-122070932-A Application of combination of decitabine and anti-HER 2 antibody in preparation of medicines for treating tumors 上海交通大学 2026-05-22 CN claimed
WO-2026107052-A1 COMBINATION TREATMENTS USING EPIGENETIC INHIBITION AND SYNGRI-MEDIATED FRATAXIN EXPRESSION ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2026-05-21 WO claimed
EP-3429570-B1 COMBINATIONS OF LSD1 INHIBITORS FOR THE TREATMENT OF HEMATOLOGICAL MALIGNANCIES ORYZON GENOMICS SA (ES) 2026-05-20 EP claimed
WO-2026102034-A1 COMPOSITIONS AND METHODS FOR GENETIC AND EPIGENETIC MODULATION JUNIPERO THERAPEUTICS, INC. (US) 2026-05-15 WO claimed
WO-2026101232-A1 POLYMER COMPOUND FOR CELL SURFACE MODIFICATION FOR IMPROVING DRUG DELIVERY EFFICIENCY 동국대학교 산학협력단 2026-05-15 WO claimed
US-20260125650-A1 METHODS AND COMPOSITIONS FOR GENERATING HEPATOCYTES TRAILHEAD BIOSYSTEMS INC (US) 2026-05-07 US claimed
US-20260108619-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LINKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2026-04-23 US claimed
WO-2007041071-A2 OLIGONUCLEOTIDE ANALOGUES INCORPORATING 5-AZA-CYTOSINE THEREIN SUPERGEN, INC. (US) 2007-04-12 WO claimed
US-20070072796-A1 methylation modulators; phosphoramidite building blocks; for treating cancer and hematological disorders ASTEX PHARMACEUTICALS, INC. 2007-03-29 US claimed
WO-2007022044-A2 COMBINATION OF ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-02-22 WO claimed
EP-1738752-A1 Pharmaceutical combinations comprising cis-retine acid Schering Aktiengesellschaft (DE) 2007-01-03 EP claimed
EP-1641458-A2 PHARMACEUTICAL COMBINATIONS OF PHTHALAZINE VEGF INHIBITORS AND BENZAMIDE HDAC INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2006-04-05 EP claimed
US-20050215601-A1 Therapeutic agent for rheumatic disease comprising benzamide derivative as active ingredient SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-09-29 US claimed
EP-1547585-A1 THERAPEUTIC AGENT FOR RHEUMATISM CONTAINING BENZAMIDE DERIVATIVE AS ACTIVE INGREDIENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-06-29 EP claimed
US-6905669-B2 Compositions and methods for reestablishing gene transcription through inhibition of DNA methylation and histone deacetylase SUPERGEN, INC. (US) 2005-06-14 US claimed
US-20050054647-A1 New pharmaceutical combination BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-03-10 US claimed
WO-2004058234-A2 PHARMACEUTICAL COMBINATIONS OF PHTHALAZINE VEGF INHIBITORS AND BENZAMIDE HDAC INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2004-07-15 WO claimed