SCHEMBL4837637

SCHEMBL4837637

O=C(CCCCCBr)Nc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 19/20 0.72
HDAC1 Q13547 19/20 0.72
HDAC7 Q8WUI4 19/20 0.72
HDAC11 Q96DB2 19/20 0.72
HDAC8 Q9BY41 19/20 0.72
HDAC6 Q9UBN7 19/20 0.72
HDAC9 Q9UKV0 19/20 0.72
HDAC5 Q9UQL6 19/20 0.72
HDAC3 O15379 18/20 0.72
HDAC2 Q92769 18/20 0.72
HDAC10 Q969S8 18/20 0.72
NCOR1 O75376 2/20 0.72
NCOR2 Q9Y618 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
SCHEMBL14934835 1.00 HDAC4 (0.72) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL8178246 1.00 HDAC4 (0.72) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL31203466 0.98 HDAC4 (0.69) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL8132454 0.93 HDAC4 (0.66) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL6669511 0.91 HDAC4 (0.85) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL137348 0.91 HDAC4 (0.85) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL1065393 0.91 HDAC4 (0.85) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL6665592 0.91 HDAC4 (0.85) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL517309 0.89 HDAC4 (0.81) HDAC4HDAC1HDAC7HDAC11HDAC8
Hydroxyamine SCHEMBL1268824 0.87 HDAC6 (0.79) HDAC4HDAC1HDAC7HDAC11HDAC8

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 31 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
WO-2013066836-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 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-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
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
EP-1044979-A2 1-[(N-(un)substituted)amidoalkyl]spiroindolinonaphthoxazines, their preparation, compositions and (co)polymer matrices containing them Corning S.A. (FR) 2000-10-18 EP disclosed
EP-0660832-B1 SEROTONIN RECEPTOR AGENTS MERRELL PHARMA INC (US) 1998-01-14 EP disclosed
US-5436246-A Compounds for treatment of anxiety, depression, migraine, stroke, angina and hypertension MERRELL DOW PHARMACEUTICALS INC. 1995-07-25 US disclosed
EP-0660832-A1 SEROTONIN RECEPTOR AGENTS MERRELL PHARMACEUTICALS INC. (US) 1995-07-05 EP disclosed
WO-1994006789-A1 SEROTONIN RECEPTOR AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1994-03-31 WO disclosed
EP-0150168-B1 USE OF METAL SALTS OF THIOSULPHURIC -S-ESTERS AS RUBBER/METAL BONDING PROMOTERS MONSANTO EUROPE S.A./N.V. (BE) 1991-05-08 EP disclosed
US-4581297-A STEEL BELTED RADIAL TIRES MONSANTO EUROPE, S.A. (BE) 1986-04-08 US disclosed
EP-0150168-A2 Use of metal salts of thiosulphuric -S-esters as rubber/metal bonding promoters MONSANTO EUROPE S.A./N.V. (BE) 1985-07-31 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 (2 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 HDAC4 4/4885HDAC1 1/4885HDAC7 10/4885
US-20070010536-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof ACIN1, HDAC3, HDAC1 HDAC4 6/4885HDAC1 3/4885HDAC7 7/4885

“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.