SCHEMBL5577979

SCHEMBL5577979

O=C(CCCCCC(=O)Nc1ccccn1)Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 12/20 1.00
HDAC1 Q13547 12/20 1.00
HDAC11 Q96DB2 12/20 1.00
HDAC8 Q9BY41 12/20 1.00
HDAC6 Q9UBN7 12/20 1.00
HDAC5 Q9UQL6 12/20 1.00
HDAC7 Q8WUI4 11/20 1.00
HDAC9 Q9UKV0 11/20 1.00
HDAC3 O15379 11/20 1.00
HDAC2 Q92769 11/20 1.00
HDAC10 Q969S8 11/20 1.00
GAA P10253 2/20 0.69
ALDH1A1 P00352 1/20 0.69
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
MEN1 O00255 1/20 0.62
PKM P14618 1/20 0.62
KMT2A Q03164 1/20 0.62
KDM4E B2RXH2 1/20 0.62

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
SCHEMBL5577986 1.00 HDAC4 (1.00) HDAC4HDAC1HDAC11HDAC8HDAC6
SCHEMBL1066988 0.89 HDAC3 (0.81) HDAC4HDAC1HDAC11HDAC8HDAC6
SCHEMBL1064977 0.86 HDAC3 (0.78) HDAC4HDAC1HDAC11HDAC8HDAC6
SCHEMBL8090513 0.86 HDAC1 (1.00) HDAC4HDAC1HDAC11HDAC8HDAC6
SCHEMBL1065479 0.86 HDAC3 (0.78) HDAC4HDAC1HDAC11HDAC8HDAC6
SCHEMBL23023795 0.85 HDAC3 (0.76) HDAC4HDAC1HDAC11HDAC8HDAC6
SCHEMBL30444964 0.85 HDAC3 (0.76) HDAC4HDAC1HDAC11HDAC8HDAC6
SCHEMBL18248585 0.85 HDAC3 (0.76) HDAC4HDAC1HDAC11HDAC8HDAC6
SCHEMBL14645344 0.85 HDAC3 (0.76) HDAC4HDAC1HDAC11HDAC8HDAC6
SCHEMBL13668924 0.84 HDAC3 (0.73) HDAC4HDAC1HDAC11HDAC8HDAC6

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 15 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
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-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-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-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 HDAC4 2/4885HDAC1 1/4885HDAC11 6/4885
US-20130210918-A1 TREATMENT OF FRIEDREICH'S ATAXIA USING HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC4, HDAC6 HDAC4 2/4885HDAC1 1/4885HDAC11 6/4885
US-20150080472-A1 TREATMENT OF FRIEDREICH'S ATAXIA USING HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC4, HDAC6 HDAC4 2/4885HDAC1 1/4885HDAC11 6/4885
US-20070219244-A1 Histone deacetylase inhibitors as therapeutics for neurological diseases HDAC5, HDAC1, HDAC6 HDAC4 5/4885HDAC1 2/4885HDAC11 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.