SCHEMBL1060811

SCHEMBL1060811

NC(=O)C(CCCCCC(=O)Nc1ccccc1)c1ccccc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.60
HDAC8 Q9BY41 17/20 0.60
HDAC6 Q9UBN7 17/20 0.60
HDAC3 O15379 16/20 0.60
HDAC4 P56524 14/20 0.60
HDAC7 Q8WUI4 13/20 0.60
HDAC11 Q96DB2 13/20 0.60
HDAC9 Q9UKV0 13/20 0.60
HDAC5 Q9UQL6 13/20 0.60
HDAC2 Q92769 13/20 0.60
HDAC10 Q969S8 12/20 0.60
NCOR2 Q9Y618 2/20 0.60
KDM4E B2RXH2 1/20 0.52
BRD4 O60885 1/20 0.52
NCOR1 O75376 1/20 0.52
NR1I2 O75469 1/20 0.52
EGFR P00533 1/20 0.52
CYP3A4 P08684 1/20 0.52
LTA4H P09960 1/20 0.52
NR0B1 P51843 1/20 0.52

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
SCHEMBL1063952 0.99 HDAC1 (0.58) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL16011052 0.90 HDAC4 (0.60) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL1065607 0.89 HDAC1 (0.61) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL16011100 0.87 HDAC4 (0.63) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL1062300 0.84 HDAC8 (0.62) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL1063975 0.83 HDAC8 (0.60) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL1064490 0.82 HDAC8 (0.56) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL16010906 0.82 HDAC3 (0.52) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL1063215 0.82 HDAC3 (0.55) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL16010979 0.81 HDAC4 (0.66) HDAC1HDAC8HDAC6HDAC3HDAC4

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 HDAC1 1/4885HDAC8 8/4885HDAC6 3/4885
US-20130210918-A1 TREATMENT OF FRIEDREICH'S ATAXIA USING HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC4, HDAC6 HDAC1 1/4885HDAC8 8/4885HDAC6 3/4885
US-20150080472-A1 TREATMENT OF FRIEDREICH'S ATAXIA USING HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC4, HDAC6 HDAC1 1/4885HDAC8 8/4885HDAC6 3/4885
US-20070219244-A1 Histone deacetylase inhibitors as therapeutics for neurological diseases HDAC5, HDAC1, HDAC6 HDAC1 2/4885HDAC8 10/4885HDAC6 3/4885

“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.