SCHEMBL4840206

SCHEMBL4840206

O=C(O)CCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc2cccnc12

nearest known ligand 0.87

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.87
HDAC4 P56524 6/20 0.82
HDAC6 Q9UBN7 6/20 0.82
MEF2D Q14814 2/20 0.63
EP300 Q09472 1/20 0.61
HDAC2 Q92769 3/20 0.60
SIRT5 Q9NXA8 2/20 0.55
HTT P42858 1/20 0.52

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
SCHEMBL14254992 1.00 HDAC1 (0.87) HDAC1HDAC4HDAC6MEF2DEP300
SCHEMBL4839470 0.93 HDAC1 (1.00) HDAC1HDAC4HDAC6MEF2DEP300
SCHEMBL4839483 0.93 HDAC1 (1.00) HDAC1HDAC4HDAC6MEF2DEP300
SCHEMBL8252891 0.90 HDAC1 (0.80) HDAC1HDAC4HDAC6MEF2DEP300
SCHEMBL4828500 0.89 HDAC1 (0.78) HDAC1HDAC4HDAC6MEF2DEP300
SCHEMBL8261388 0.88 HDAC1 (0.78) HDAC1HDAC4HDAC6MEF2DEP300
SCHEMBL21221149 0.87 HDAC4 (0.75) HDAC1HDAC4HDAC6MEF2DEP300
SCHEMBL8113524 0.85 HDAC1 (0.79) HDAC1HDAC4HDAC6HDAC2
SCHEMBL8260908 0.85 HDAC1 (0.73) HDAC1HDAC4HDAC6MEF2DEP300
SCHEMBL8083026 0.84 HDAC1 (0.79) HDAC1HDAC4HDAC6MEF2DEP300

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1231919-B1 Derivatives of 1-amino-1-(hetero)arylaminocarbonyl-6-hydroxyaminocarbonylhexane useful in the treatment of tumors SLOAN KETTERING INST CANCER (US) 2015-09-30 EP disclosed
EP-1231919-B1 Derivatives of 1-amino-1-(hetero)arylaminocarbonyl-6-hydroxyaminocarbonylhexane useful in the treatment of tumors SLOAN KETTERING INST CANCER (US) 2015-09-30 EP 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
US-20070010669-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2007-01-11 US disclosed
US-20070010669-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2007-01-11 US disclosed
US-20070010669-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2007-01-11 US 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-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-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
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 (4 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-20060241129-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof ACIN1, HDAC3, HDAC1 HDAC1 3/4885HDAC4 6/4885HDAC6 14/4885
US-20070010669-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof ACIN1, HDAC3, HDAC1 HDAC1 3/4885HDAC4 6/4885HDAC6 14/4885
US-20070010536-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof ACIN1, HDAC3, HDAC1 HDAC1 3/4885HDAC4 6/4885HDAC6 14/4885
US-20040002506-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof ACIN1, HDAC3, HDAC1 HDAC1 3/4885HDAC4 8/4885HDAC6 12/4885

“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.