SCHEMBL4837475

SCHEMBL4837475

O=C(CCCCCC(NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1)NO

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 5/20 0.74
▸ HDAC2 Q92769 3/20 0.74
▸ HDAC8 Q9BY41 3/20 0.74
▸ HDAC3 O15379 2/20 0.74
▸ HDAC4 P56524 2/20 0.74
▸ HDAC7 Q8WUI4 2/20 0.74
▸ HDAC10 Q969S8 2/20 0.74
▸ HDAC11 Q96DB2 2/20 0.74
▸ HDAC6 Q9UBN7 2/20 0.74
▸ HDAC9 Q9UKV0 2/20 0.74
▸ HDAC5 Q9UQL6 2/20 0.74
▸ NCOR2 Q9Y618 1/20 0.74
▸ SIRT2 Q8IXJ6 9/20 0.67
▸ SIRT1 Q96EB6 8/20 0.67
▸ SIRT5 Q9NXA8 2/20 0.65
▸ SIRT3 Q9NTG7 3/20 0.64

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
SCHEMBL4837460 1.00 HDAC1 (0.74) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL4838789 0.91 SIRT5 (0.76) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL8269145 0.90 HDAC1 (0.62) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL3504493 0.90 HDAC1 (0.62) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL14254942 0.90 HDAC1 (0.64) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL8312589 0.87 HDAC1 (0.62) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL13928112 0.87 HDAC1 (0.62) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL22034415 0.86 SIRT5 (0.69) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL22034417 0.86 SIRT5 (0.69) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL17742350 0.85 SIRT2 (0.69) HDAC1HDAC2HDAC8HDAC3HDAC4

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 19 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-1443928-B1 TREATMENT OF NEURODEGENERATIVE DISEASES AND CANCER OF THE BRAIN SLOAN KETTERING INST CANCER (US) 2011-07-27 — — EP disclosed
EP-2269609-A2 Treatment of neurodegenerative diseases and cancer of the brain with SAHA Sloan-Kettering Institute for Cancer Research (US) 2011-01-05 — — EP disclosed
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 — — US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 — — 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-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
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
WO-2003032921-A2 TREATMENT OF NEURODEGENERATIVE DISEASES AND CANCER OF THE BRAIN SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2003-04-24 — — WO 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

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-20060241129-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof ACIN1, HDAC3, HDAC1 HDAC1 3/4885HDAC2 13/4885HDAC8 17/4885
US-20070010669-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof ACIN1, HDAC3, HDAC1 HDAC1 3/4885HDAC2 13/4885HDAC8 17/4885
US-20070010536-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof ACIN1, HDAC3, HDAC1 HDAC1 3/4885HDAC2 13/4885HDAC8 17/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN HDAC1 1102/4885HDAC2 2255/4885HDAC8 954/4885
US-20040002506-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof ACIN1, HDAC3, HDAC1 HDAC1 3/4885HDAC2 10/4885HDAC8 18/4885

“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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