Entinostat

Entinostat

SCHEMBL2412014

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

nearest known ligand 0.93

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 0.93
HDAC3 known ✓ O15379 11/20 0.93
HDAC2 known ✓ Q92769 11/20 0.93
HDAC8 known ✓ Q9BY41 9/20 0.93
HDAC4 known ✓ P56524 8/20 0.93
HDAC7 known ✓ Q8WUI4 8/20 0.93
HDAC10 known ✓ Q969S8 8/20 0.93
HDAC11 known ✓ Q96DB2 8/20 0.93
HDAC6 known ✓ Q9UBN7 8/20 0.93
HDAC9 known ✓ Q9UKV0 8/20 0.93
HDAC5 known ✓ Q9UQL6 8/20 0.93
KDM1A O60341 1/20 0.93
CYP3A4 P08684 1/20 0.93
F3 P13726 1/20 0.93
NCOR2 Q9Y618 1/20 0.93
KCNH2 Q12809 1/20 0.73
NAMPT P43490 2/20 0.63

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 SCHEMBL2408179 0.97 HDAC1 (0.91) HDAC1HDAC3HDAC2HDAC8HDAC4
Entinostat SCHEMBL29499905 0.96 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC8HDAC4
Entinostat SCHEMBL148309 0.96 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC8HDAC4
Entinostat SCHEMBL29387345 0.96 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC8HDAC4
Entinostat SCHEMBL29838042 0.96 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC8HDAC4
Entinostat SCHEMBL2409897 0.95 HDAC1 (0.98) HDAC1HDAC3HDAC2HDAC8HDAC4
Entinostat SCHEMBL2407986 0.95 HDAC1 (0.98) HDAC1HDAC3HDAC2HDAC8HDAC4
Entinostat SCHEMBL2412431 0.93 HDAC1 (0.94) HDAC1HDAC3HDAC2HDAC8HDAC4
Entinostat SCHEMBL2413749 0.93 HDAC1 (0.93) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL2415852 0.92 HDAC1 (0.92) 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

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018176-B2 Inducers of hematopoiesis and fetal globin production for treatment of cytopenias and hemoglobin disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-28 US disclosed
US-8026239-B2 Cell differentiation inducer BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-09-27 US disclosed
US-20100256201-A1 CELL DIFFERENTIATION INDUCER BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-07 US disclosed
CN-101686970-A Synergistic combination of anthranilamide pyridinureas and benzamide derivatives BAYER SCHERING PHARMA AG 2010-03-31 CN disclosed
US-7687525-B2 Cell differentiation inducer BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-03-30 US disclosed
US-RE40703-E1 Cell differentiation inducer, benzamide compounds SCHERING AKTIENGESELLSCHAFT (DE) 2009-04-28 US disclosed
US-20090048292-A1 SYNERGISTIC COMBINATION BAYER SCHERING PHARMA AG (DE) 2009-02-19 US disclosed
EP-2008658-A1 Synergistic combination of anthranilamide pyridinureas and benzamide derivatives Bayer Schering Pharma Aktiengesellschaft (DE) 2008-12-31 EP disclosed
US-20080188489-A1 Cell differentiation inducer SCHERING AKTIENGESELLSCHAFT (DE) 2008-08-07 US disclosed
US-7317028-B2 Cell differentiation inducer SCHERING AKTIENGESELLSCHAFT (DE) 2008-01-08 US disclosed
US-20050054647-A1 New pharmaceutical combination BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-03-10 US disclosed
WO-2005007158-A1 TREATMENT OF PATIENTS WITH CHRONIC LYMPHOCYTIC LEUKEMIA THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2005-01-27 WO disclosed
US-6841565-B1 Benzamide derivatives which induce apoptosis in inactive, non-proliferating B-CLL cells THE OHIO STATE UNIVERSITY (US) 2005-01-11 US disclosed
US-6794392-B1 Cell differentiation inducer SCHERING AKTIENGESELLSCHAFT (DE) 2004-09-21 US disclosed
US-20040147569-A1 Antitumor agents; autoimmune disease; skin disorders; anticancer agents SCHERING AKTIENGESELLSCHAFT 2004-07-29 US disclosed
WO-2004058234-A2 PHARMACEUTICAL COMBINATIONS OF PHTHALAZINE VEGF INHIBITORS AND BENZAMIDE HDAC INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2004-07-15 WO disclosed
EP-1437346-A1 Benzamide derivatives useful as cell differentiation inducers Schering AG (DE) 2004-07-14 EP disclosed
EP-0847992-B1 Benzamide derivatives, useful as cell differentiation inducers SCHERING AG (DE) 2004-06-23 EP disclosed
US-6174905-B1 AS CARCINOSTATIC AGENT TO A HEMATOLOGIC MALIGNANCY AND A SOLID CARCINOMA MITSUI CHEMICALS, INC. (JP) 2001-01-16 US disclosed
EP-0847992-A1 Benzamide derivatives, useful as cell differentiation inducers Mitsui Chemicals, Inc. (JP) 1998-06-17 EP 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 (5 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-20080188489-A1 Cell differentiation inducer MCL1, MYADM, MYD88 HDAC1 150/4885HDAC3 618/4885HDAC2 170/4885
US-20040147569-A1 Antitumor agents; autoimmune disease; skin disorders; anticancer agents MCL1, MYADM, PDCD1 HDAC1 81/4885HDAC3 807/4885HDAC2 204/4885
US-20100256201-A1 CELL DIFFERENTIATION INDUCER MCL1, MYADM, MYD88 HDAC1 163/4885HDAC3 680/4885HDAC2 183/4885
US-20050054647-A1 New pharmaceutical combination VEGFA, INHA, PGF HDAC1 976/4885HDAC3 1616/4885HDAC2 1101/4885
US-20090048292-A1 SYNERGISTIC COMBINATION HDAC1, HDAC2, HDAC11 HDAC1 1/4885HDAC3 4/4885HDAC2 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.