SCHEMBL4828503

SCHEMBL4828503

COC(=O)C(CCCCCC(=O)Nc1ccccc1)NC(=O)C1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.48
▸ HDAC8 Q9BY41 13/20 0.48
▸ HDAC3 O15379 11/20 0.48
▸ HDAC2 Q92769 11/20 0.48
▸ HDAC6 Q9UBN7 11/20 0.48
▸ HDAC1 Q13547 10/20 0.48
▸ HDAC10 Q969S8 9/20 0.48
▸ HDAC11 Q96DB2 9/20 0.48
▸ NCOR2 Q9Y618 4/20 0.48
▸ HDAC4 P56524 5/20 0.46
▸ HDAC7 Q8WUI4 5/20 0.46
▸ HDAC9 Q9UKV0 5/20 0.46
▸ HDAC5 Q9UQL6 5/20 0.46

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
SCHEMBL4831730 0.89 HPGD (0.52) HPGDHDAC8HDAC3HDAC2HDAC6
SCHEMBL14254961 0.83 HDAC3 (0.52) HPGDHDAC8HDAC3HDAC2HDAC6
SCHEMBL8360681 0.82 HDAC2 (0.68) HDAC8HDAC3HDAC2HDAC6HDAC1
SCHEMBL14254962 0.82 HDAC2 (0.68) HDAC8HDAC3HDAC2HDAC6HDAC1
SCHEMBL4831736 0.81 HDAC3 (0.56) HPGDHDAC8HDAC3HDAC2HDAC6
SCHEMBL2895497 0.78 HDAC1 (0.54) HDAC8HDAC3HDAC2HDAC6HDAC1
SCHEMBL18256357 0.77 ENPP2 (0.65) HDAC8HDAC3HDAC2HDAC6HDAC1
SCHEMBL18256306 0.77 PTPRC (0.53) HDAC8HDAC3HDAC2HDAC6HDAC1
SCHEMBL18256337 0.77 ENPP2 (0.65) HDAC8HDAC3HDAC2HDAC6HDAC1
SCHEMBL18256356 0.75 ENPP2 (0.54) HDAC8HDAC3HDAC2HDAC6HDAC1

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 11 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
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-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 HPGD 377/4885HDAC8 17/4885HDAC3 2/4885
US-20070010669-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof ACIN1, HDAC3, HDAC1 HPGD 377/4885HDAC8 17/4885HDAC3 2/4885
US-20070010536-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof ACIN1, HDAC3, HDAC1 HPGD 377/4885HDAC8 17/4885HDAC3 2/4885
US-20040002506-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof ACIN1, HDAC3, HDAC1 HPGD 488/4885HDAC8 18/4885HDAC3 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.

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