SCHEMBL1064952

SCHEMBL1064952

Nc1cccc(NC(=O)CCCCCC(=O)Nc2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 1.00
HDAC6 Q9UBN7 15/20 1.00
HDAC4 P56524 13/20 1.00
HDAC7 Q8WUI4 12/20 1.00
HDAC11 Q96DB2 12/20 1.00
HDAC8 Q9BY41 12/20 1.00
HDAC9 Q9UKV0 12/20 1.00
HDAC5 Q9UQL6 12/20 1.00
HDAC3 O15379 12/20 1.00
HDAC2 Q92769 11/20 1.00
HDAC10 Q969S8 11/20 1.00
NCOR2 Q9Y618 2/20 0.64
NCOR1 O75376 2/20 0.64
KDM4E B2RXH2 1/20 0.64
BRD4 O60885 1/20 0.64
NR1I2 O75469 1/20 0.64
EGFR P00533 1/20 0.64
CYP3A4 P08684 1/20 0.64
LTA4H P09960 1/20 0.64
NR0B1 P51843 1/20 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
SCHEMBL1064957 1.00 HDAC1 (1.00) HDAC1HDAC6HDAC4HDAC7HDAC11
SCHEMBL13363465 0.95 HDAC1 (0.91) HDAC1HDAC6HDAC4HDAC7HDAC11
SCHEMBL30021444 0.88 HDAC3 (0.78) HDAC1HDAC6HDAC4HDAC7HDAC11
SCHEMBL9168407 0.88 HDAC3 (0.78) HDAC1HDAC6HDAC4HDAC7HDAC11
SCHEMBL9369812 0.88 HDAC1 (0.78) HDAC1HDAC6HDAC4HDAC7HDAC11
SCHEMBL13363466 0.87 HDAC4 (0.79) HDAC1HDAC6HDAC4HDAC7HDAC11
SCHEMBL18922447 0.87 HDAC1 (0.76) HDAC1HDAC6HDAC4HDAC7HDAC11
SCHEMBL15650429 0.86 HDAC1 (0.75) HDAC1HDAC6HDAC4HDAC7HDAC11
SCHEMBL8244867 0.85 HDAC1 (0.74) HDAC1HDAC6HDAC4HDAC7HDAC11
SCHEMBL1064492 0.85 HDAC1 (0.74) HDAC1HDAC6HDAC4HDAC7HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957225-B2 Treatment of friedreich's ataxia using histone deacetylase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-01 US disclosed
US-9957225-B2 Treatment of friedreich's ataxia using histone deacetylase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-01 US disclosed
US-9957225-B2 Treatment of friedreich's ataxia using histone deacetylase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-01 US disclosed
EP-3006424-A1 HISTONE DEACETYLASE INHIBITORS AS THERAPEUTICS FOR NEUROLOGICAL DISEASES The Scripps Research Institute (US) 2016-04-13 EP disclosed
US-20150080472-A1 TREATMENT OF FRIEDREICH'S ATAXIA USING HISTONE DEACETYLASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE 2015-03-19 US disclosed
US-20150080472-A1 TREATMENT OF FRIEDREICH'S ATAXIA USING HISTONE DEACETYLASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE 2015-03-19 US disclosed
US-20150080472-A1 TREATMENT OF FRIEDREICH'S ATAXIA USING HISTONE DEACETYLASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE 2015-03-19 US disclosed
US-8835502-B2 Treatment of friedreich's ataxia using histone deacetylase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2014-09-16 US disclosed
US-8835502-B2 Treatment of friedreich's ataxia using histone deacetylase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2014-09-16 US disclosed
US-8835502-B2 Treatment of friedreich's ataxia using histone deacetylase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2014-09-16 US disclosed
US-20130210918-A1 TREATMENT OF FRIEDREICH'S ATAXIA USING HISTONE DEACETYLASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2013-08-15 US disclosed
US-20130210918-A1 TREATMENT OF FRIEDREICH'S ATAXIA USING HISTONE DEACETYLASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2013-08-15 US disclosed
US-20130210918-A1 TREATMENT OF FRIEDREICH'S ATAXIA USING HISTONE DEACETYLASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2013-08-15 US disclosed
US-20110021562-A1 TREATMENT OF FRIEDREICH'S ATAXIA USING HISTONE DEACETYLASE INHIBITORS THE SCRIPPS RESEARCH INSTUTE (US) 2011-01-27 US disclosed
US-20110021562-A1 TREATMENT OF FRIEDREICH'S ATAXIA USING HISTONE DEACETYLASE INHIBITORS THE SCRIPPS RESEARCH INSTUTE (US) 2011-01-27 US disclosed
US-20110021562-A1 TREATMENT OF FRIEDREICH'S ATAXIA USING HISTONE DEACETYLASE INHIBITORS THE SCRIPPS RESEARCH INSTUTE (US) 2011-01-27 US disclosed
US-20070219244-A1 Histone deacetylase inhibitors as therapeutics for neurological diseases THE SCRIPPS RESEARCH INSTITUTE (US) 2007-09-20 US disclosed
US-20070219244-A1 Histone deacetylase inhibitors as therapeutics for neurological diseases THE SCRIPPS RESEARCH INSTITUTE (US) 2007-09-20 US disclosed
US-20070219244-A1 Histone deacetylase inhibitors as therapeutics for neurological diseases THE SCRIPPS RESEARCH INSTITUTE (US) 2007-09-20 US disclosed
WO-2007058927-A1 HISTONE DEACETYLASE INHIBITORS AS THERAPEUTICS FOR NEUROLOGICAL DISEASES THE SCRIPPS RESEARCH INSTITUTE (US) 2007-05-24 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-20110021562-A1 TREATMENT OF FRIEDREICH'S ATAXIA USING HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC4, HDAC6 HDAC1 1/4885HDAC6 3/4885HDAC4 2/4885
US-20130210918-A1 TREATMENT OF FRIEDREICH'S ATAXIA USING HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC4, HDAC6 HDAC1 1/4885HDAC6 3/4885HDAC4 2/4885
US-20150080472-A1 TREATMENT OF FRIEDREICH'S ATAXIA USING HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC4, HDAC6 HDAC1 1/4885HDAC6 3/4885HDAC4 2/4885
US-20070219244-A1 Histone deacetylase inhibitors as therapeutics for neurological diseases HDAC5, HDAC1, HDAC6 HDAC1 2/4885HDAC6 3/4885HDAC4 5/4885

“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.