SCHEMBL1064950

SCHEMBL1064950

NC(=O)C(CCCCC(=O)Nc1ccccc1)c1cccc(N)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 15/20 0.64
HDAC1 Q13547 15/20 0.64
HDAC7 Q8WUI4 15/20 0.64
HDAC11 Q96DB2 15/20 0.64
HDAC8 Q9BY41 15/20 0.64
HDAC6 Q9UBN7 15/20 0.64
HDAC9 Q9UKV0 15/20 0.64
HDAC5 Q9UQL6 15/20 0.64
HDAC3 O15379 14/20 0.64
HDAC2 Q92769 14/20 0.64
HDAC10 Q969S8 14/20 0.64
IDO1 P14902 1/20 0.48
NCOR2 Q9Y618 2/20 0.48
CPN1 P15169 1/20 0.48
CPB2 Q96IY4 1/20 0.48
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.47
BRD4 O60885 1/20 0.47

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
SCHEMBL1064956 0.99 HDAC1 (0.67) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL1058606 0.86 HDAC8 (0.54) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL1064490 0.85 HDAC8 (0.56) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL1064471 0.84 RAB9A (0.52) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL1064952 0.79 HDAC1 (1.00) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL1064957 0.79 HDAC1 (1.00) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL1063952 0.79 HDAC1 (0.58) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL1060811 0.78 HDAC1 (0.60) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL1064045 0.78 L3MBTL1 (0.59) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL466227 0.77 HDAC2 (0.64) 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 6 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-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-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

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 1/4885HDAC7 10/4885
US-20130210918-A1 TREATMENT OF FRIEDREICH'S ATAXIA USING HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC4, HDAC6 HDAC4 2/4885HDAC1 1/4885HDAC7 10/4885
US-20150080472-A1 TREATMENT OF FRIEDREICH'S ATAXIA USING HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC4, HDAC6 HDAC4 2/4885HDAC1 1/4885HDAC7 10/4885
US-20070219244-A1 Histone deacetylase inhibitors as therapeutics for neurological diseases HDAC5, HDAC1, HDAC6 HDAC4 5/4885HDAC1 2/4885HDAC7 8/4885

“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.