SCHEMBL4837664

SCHEMBL4837664

NCCCCCC(=O)Nc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 19/20 0.72
HDAC4 P56524 18/20 0.72
HDAC1 Q13547 18/20 0.72
HDAC7 Q8WUI4 18/20 0.72
HDAC11 Q96DB2 18/20 0.72
HDAC8 Q9BY41 18/20 0.72
HDAC9 Q9UKV0 18/20 0.72
HDAC5 Q9UQL6 18/20 0.72
HDAC3 O15379 17/20 0.72
HDAC2 Q92769 17/20 0.72
HDAC10 Q969S8 17/20 0.72
NCOR2 Q9Y618 2/20 0.72
NCOR1 O75376 2/20 0.72
KDM4E B2RXH2 1/20 0.72
BRD4 O60885 1/20 0.72
NR1I2 O75469 1/20 0.72
EGFR P00533 1/20 0.72
CYP3A4 P08684 1/20 0.72
LTA4H P09960 1/20 0.72
NR0B1 P51843 1/20 0.72

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
SCHEMBL31203555 1.00 HDAC6 (0.72) HDAC6HDAC4HDAC1HDAC7HDAC11
SCHEMBL14135053 1.00 HDAC6 (0.72) HDAC6HDAC4HDAC1HDAC7HDAC11
SCHEMBL28608420 1.00 HDAC6 (0.72) HDAC6HDAC4HDAC1HDAC7HDAC11
Hydrochloric Acid SCHEMBL8750137 0.98 HDAC6 (0.70) HDAC6HDAC4HDAC1HDAC7HDAC11
Hydrochloric Acid SCHEMBL827279 0.98 HDAC6 (0.70) HDAC6HDAC4HDAC1HDAC7HDAC11
SCHEMBL13973103 0.98 HDAC6 (0.69) HDAC6HDAC4HDAC1HDAC7HDAC11
Hydrochloric Acid SCHEMBL28515049 0.96 HDAC6 (0.67) HDAC6HDAC4HDAC1HDAC7HDAC11
SCHEMBL22661265 0.94 HDAC6 (0.64) HDAC6HDAC4HDAC1HDAC7HDAC11
SCHEMBL7539554 0.93 LTA4H (0.66) HDAC6HDAC4HDAC1HDAC7HDAC11
SCHEMBL19501807 0.92 HDAC4 (0.61) HDAC6HDAC4HDAC1HDAC7HDAC11

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-20240360089-A1 Metabolically Stable HDAC Inhibitors with Trifluoromethylpyruvamide as Metal-Binding Group THE UNIVERSITY OF TOLEDO (US) 2024-10-31 US disclosed
EP-2200439-B1 HDAC INHIBITORS LIXTE BIOTECHNOLOGY INC (US) 2017-03-22 EP disclosed
EP-2560690-B1 CYCLOPENTAPEPTIDE DERIVATIVES AND USES THEREOF Technische Universität München (DE) 2017-03-08 EP disclosed
WO-2008080223-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-10 WO disclosed
US-7345174-B2 Cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2008-03-18 US disclosed
US-7345174-B2 Cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2008-03-18 US disclosed
US-7345174-B2 Cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2008-03-18 US disclosed
CN-101048374-A Mercaptoamides as histone deacetylase inhibitors OSI PHARM INC (US) 2007-10-03 CN disclosed
EP-1794117-A2 MERCAPTOAMIDES AS HISTONE DEACETYLASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2007-06-13 EP disclosed
US-20070010536-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2007-01-11 US disclosed
US-20060241129-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2006-10-26 US disclosed
US-7126001-B2 Class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2006-10-24 US disclosed
WO-2006028972-A2 MERCAPTOAMIDES AS HISTONE DEACETYLASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2006-03-16 WO disclosed
WO-2006028972-A2 MERCAPTOAMIDES AS HISTONE DEACETYLASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2006-03-16 WO disclosed
US-20060047123-A1 Mercaptoamides as histone deacetylase inhibitors AHMED SALEH 2006-03-02 US disclosed
EP-1231919-A4 NOVEL CLASS OF CYTODIFFERENTIATING AGENTS AND HISTONE DEACETYLASE INHIBITORS, AND METHODS OF USE THEREOF SLOAN KETTERING INSTITUTEFOR C (US) 2005-02-23 EP disclosed
US-20040002506-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof SLOAN KETTERING INSTITUTE FOR CANCER RESEARCH 2004-01-01 US disclosed
US-6511990-B1 Selectively inducing terminal differentiation of neoplastic cells and thereby inhibiting proliferation SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2003-01-28 US disclosed
EP-1231919-A2 NOVEL CLASS OF CYTODIFFERENTIATING AGENTS AND HISTONE DEACETYLASE INHIBITORS, AND METHODS OF USE THEREOF Sloan-Kettering Institute For Cancer Research (US) 2002-08-21 EP disclosed
WO-2001018171-A2 NOVEL CLASS OF CYTODIFFERENTIATING AGENTS AND HISTONE DEACETYLASE INHIBITORS, AND METHODS OF USE THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2001-03-15 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 (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-20240360089-A1 Metabolically Stable HDAC Inhibitors with Trifluoromethylpyruvamide as Metal-Binding Group HDAC1, HDAC3, HDAC2 HDAC6 9/4885HDAC4 4/4885HDAC1 1/4885
US-20060241129-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof ACIN1, HDAC3, HDAC1 HDAC6 14/4885HDAC4 6/4885HDAC1 3/4885
US-20070010536-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof ACIN1, HDAC3, HDAC1 HDAC6 14/4885HDAC4 6/4885HDAC1 3/4885
US-20060047123-A1 Mercaptoamides as histone deacetylase inhibitors HDAC1, HDAC11, HDAC2 HDAC6 4/4885HDAC4 12/4885HDAC1 1/4885
US-20040002506-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof ACIN1, HDAC3, HDAC1 HDAC6 12/4885HDAC4 8/4885HDAC1 3/4885

“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.