SCHEMBL1064449

SCHEMBL1064449

Cc1ccc(NC(=O)CCCCCC(=O)O)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.76
HDAC3 O15379 6/20 0.76
HDAC2 Q92769 6/20 0.76
HDAC10 Q969S8 6/20 0.76
HDAC11 Q96DB2 6/20 0.76
HDAC8 Q9BY41 6/20 0.76
HDAC6 Q9UBN7 6/20 0.76
NCOR2 Q9Y618 2/20 0.76
HDAC4 P56524 5/20 0.73
HDAC7 Q8WUI4 5/20 0.73
HDAC9 Q9UKV0 5/20 0.73
HDAC5 Q9UQL6 5/20 0.73
ALDH1A1 P00352 4/20 0.63
POLB P06746 3/20 0.63
LMNA P02545 2/20 0.61
MAPT P10636 2/20 0.60
GLA P06280 1/20 0.60
GAA P10253 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL7825018 0.95 POLB (0.70) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL517697 0.91 HDAC3 (0.86) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL1107145 0.87 MAPT (0.74) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL5968936 0.86 HDAC3 (0.76) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL2531377 0.86 HDAC3 (0.76) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL13254437 0.86 HDAC3 (0.76) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL13524769 0.86 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL2319941 0.86 HDAC3 (0.76) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL17252159 0.86 HDAC3 (0.76) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL9320350 0.86 HDAC3 (0.76) HDAC1HDAC3HDAC2HDAC10HDAC11

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 10 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
EP-3006424-A1 HISTONE DEACETYLASE INHIBITORS AS THERAPEUTICS FOR NEUROLOGICAL DISEASES The Scripps Research Institute (US) 2016-04-13 EP disclosed
EP-1951656-B1 HISTONE DEACETYLASE INHIBITORS AS THERAPEUTICS FOR NEUROLOGICAL DISEASES SCRIPPS RESEARCH INST (US) 2015-08-05 EP disclosed
US-20150080472-A1 TREATMENT OF FRIEDREICH'S ATAXIA USING HISTONE DEACETYLASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE 2015-03-19 US disclosed
US-20110021562-A1 TREATMENT OF FRIEDREICH'S ATAXIA USING HISTONE DEACETYLASE INHIBITORS THE SCRIPPS RESEARCH INSTUTE (US) 2011-01-27 US disclosed
WO-2010028193-A1 COMPOUNDS INCLUDING PIMELIC ACID DERIVATIVES AS HDAC INHIBITORS REPLIGEN CORPORATION (US) 2010-03-11 WO disclosed
WO-2010028193-A1 COMPOUNDS INCLUDING PIMELIC ACID DERIVATIVES AS HDAC INHIBITORS REPLIGEN CORPORATION (US) 2010-03-11 WO disclosed
EP-1951656-A1 HISTONE DEACETYLASE INHIBITORS AS THERAPEUTICS FOR NEUROLOGICAL DISEASES The Scripps Research Institute (US) 2008-08-06 EP 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 (3 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 1/4885HDAC3 11/4885HDAC2 5/4885
US-20150080472-A1 TREATMENT OF FRIEDREICH'S ATAXIA USING HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC4, HDAC6 HDAC1 1/4885HDAC3 11/4885HDAC2 5/4885
US-20070219244-A1 Histone deacetylase inhibitors as therapeutics for neurological diseases HDAC5, HDAC1, HDAC6 HDAC1 2/4885HDAC3 9/4885HDAC2 4/4885

“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.