SCHEMBL1936637

SCHEMBL1936637

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)C=CCCCNC(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 10/20 0.66
NAAA Q02083 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
NCOR2 Q9Y618 1/20 0.40
NR1H4 Q96RI1 2/20 0.40
NR1H2 P55055 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
CTSK P43235 1/20 0.39

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
SCHEMBL2119964 1.00 HDAC3 (0.66) HDAC3NAAANPC1RAB9AHDAC1
SCHEMBL1937902 0.93 HDAC3 (0.70) HDAC3NPC1RAB9AHDAC1HDAC2
SCHEMBL1937900 0.93 HDAC3 (0.70) HDAC3NPC1RAB9AHDAC1HDAC2
SCHEMBL1938909 0.90 HDAC3 (0.71) HDAC3RAB9AHDAC1HDAC2HDAC4
SCHEMBL1938910 0.90 HDAC3 (0.71) HDAC3RAB9AHDAC1HDAC2HDAC4
SCHEMBL2118666 0.85 HDAC3 (0.72) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL2118669 0.85 HDAC3 (0.72) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL2119999 0.83 HDAC3 (0.42) HDAC3
SCHEMBL2119997 0.83 HDAC3 (0.42) HDAC3
SCHEMBL2631254 0.82 HDAC3 (0.74) HDAC3NAAANPC1RAB9AHDAC1

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-9796664-B2 Compositions including 6-aminohexanoic acid derivatives as HDAC inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2017-10-24 US disclosed
US-20160122290-A1 COMPOSITIONS INCLUDING 6-AMINOHEXANOIC ACID DERIVATIVES AS HDAC INHIBITORS REPLIGEN CORPORATION 2016-05-05 US disclosed
US-9265734-B2 Compositions including 6-aminohexanoic acid derivatives as HDAC inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2016-02-23 US disclosed
US-20120094971-A1 Compositions Including 6-Aminohexanoic Acid Derivatives As HDAC Inhibitors REPLIGEN CORPORATION (US) 2012-04-19 US disclosed
EP-2330894-A1 COMPOSITIONS INCLUDING 6-AMINOHEXANOIC ACID DERIVATIVES AS HDAC INHIBITORS REPLIGEN CORPORATION (US) 2011-06-15 EP disclosed
WO-2010028192-A1 COMPOSITIONS INCLUDING 6-AMINOHEXANOIC ACID DERIVATIVES AS HDAC INHIBITORS REPLIGEN CORPORATION (US) 2010-03-11 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 (2 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-20160122290-A1 COMPOSITIONS INCLUDING 6-AMINOHEXANOIC ACID DERIVATIVES AS HDAC INHIBITORS HDAC1, HDAC5, HDAC2 HDAC3 5/4885NAAA 1724/4885NPC1 3728/4885
US-20120094971-A1 Compositions Including 6-Aminohexanoic Acid Derivatives As HDAC Inhibitors HDAC1, HDAC5, HDAC2 HDAC3 5/4885NAAA 1724/4885NPC1 3728/4885

“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.