SCHEMBL1064934

SCHEMBL1064934

NC(=O)CCCCCC(=O)N(c1ccccc1N)c1ccccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 10/20 0.42
▸ HDAC1 Q13547 9/20 0.42
▸ HDAC2 Q92769 9/20 0.42
▸ HDAC10 Q969S8 6/20 0.42
▸ HDAC6 Q9UBN7 5/20 0.42
▸ NCOR2 Q9Y618 5/20 0.42
▸ HDAC4 P56524 5/20 0.42
▸ HDAC7 Q8WUI4 4/20 0.42
▸ HDAC11 Q96DB2 4/20 0.42
▸ HDAC8 Q9BY41 4/20 0.42
▸ HDAC9 Q9UKV0 4/20 0.42
▸ HDAC5 Q9UQL6 4/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ALOX5 P09917 2/20 0.35
▸ KDM4A O75164 1/20 0.35
▸ KDM5A P29375 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35

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
SCHEMBL3233725 0.91 ALDH1A1 (0.39) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL16369620 0.91 ALDH1A1 (0.40) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL3242812 0.91 ALDH1A1 (0.40) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL3234068 0.88 ACHE (0.46) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL3230256 0.86 HDAC3 (0.38) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL2122406 0.86 HDAC1 (0.42) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL3236792 0.85 HDAC1 (0.42) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL3242809 0.84 HDAC3 (0.36) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL3230242 0.81 HDAC1 (0.43) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL3234078 0.80 HPGD (0.43) HDAC3HDAC1HDAC2HDAC10HDAC6

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 8 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-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 HDAC3 11/4885HDAC1 1/4885HDAC2 5/4885
US-20130210918-A1 TREATMENT OF FRIEDREICH'S ATAXIA USING HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC4, HDAC6 HDAC3 11/4885HDAC1 1/4885HDAC2 5/4885
US-20150080472-A1 TREATMENT OF FRIEDREICH'S ATAXIA USING HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC4, HDAC6 HDAC3 11/4885HDAC1 1/4885HDAC2 5/4885
US-20070219244-A1 Histone deacetylase inhibitors as therapeutics for neurological diseases HDAC5, HDAC1, HDAC6 HDAC3 9/4885HDAC1 2/4885HDAC2 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.

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