SCHEMBL1937801

SCHEMBL1937801

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 17/20 1.00
HDAC1 Q13547 9/20 0.62
HDAC2 Q92769 3/20 0.62
NCOR2 Q9Y618 2/20 0.62
MAPK1 P28482 1/20 0.54
HDAC4 P56524 1/20 0.51
HDAC8 Q9BY41 1/20 0.51

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
SCHEMBL1937798 1.00 HDAC3 (1.00) HDAC3HDAC1HDAC2NCOR2MAPK1
SCHEMBL1937975 0.91 HDAC3 (1.00) HDAC3HDAC1HDAC2NCOR2HDAC8
SCHEMBL1937973 0.91 HDAC3 (1.00) HDAC3HDAC1HDAC2NCOR2HDAC8
SCHEMBL1939112 0.91 HDAC3 (1.00) HDAC3HDAC1HDAC2NCOR2HDAC4
SCHEMBL1939110 0.91 HDAC3 (1.00) HDAC3HDAC1HDAC2NCOR2HDAC4
SCHEMBL1938906 0.88 HDAC3 (1.00) HDAC3HDAC1HDAC2NCOR2
SCHEMBL1938912 0.88 HDAC3 (1.00) HDAC3HDAC1HDAC2NCOR2
SCHEMBL1936641 0.88 HDAC3 (1.00) HDAC3HDAC1HDAC2NCOR2HDAC8
SCHEMBL1938859 0.88 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC4HDAC8
SCHEMBL1936644 0.88 HDAC3 (1.00) HDAC3HDAC1HDAC2NCOR2HDAC8

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160122290-A1 COMPOSITIONS INCLUDING 6-AMINOHEXANOIC ACID DERIVATIVES AS HDAC INHIBITORS REPLIGEN CORPORATION 2016-05-05 US claimed
US-20120094971-A1 Compositions Including 6-Aminohexanoic Acid Derivatives As HDAC Inhibitors REPLIGEN CORPORATION (US) 2012-04-19 US claimed
EP-2330894-A1 COMPOSITIONS INCLUDING 6-AMINOHEXANOIC ACID DERIVATIVES AS HDAC INHIBITORS REPLIGEN CORPORATION (US) 2011-06-15 EP claimed
WO-2010028192-A1 COMPOSITIONS INCLUDING 6-AMINOHEXANOIC ACID DERIVATIVES AS HDAC INHIBITORS REPLIGEN CORPORATION (US) 2010-03-11 WO claimed
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 5/4885HDAC1 1/4885HDAC2 3/4885
US-20120094971-A1 Compositions Including 6-Aminohexanoic Acid Derivatives As HDAC Inhibitors HDAC1, HDAC5, HDAC2 HDAC3 5/4885HDAC1 1/4885HDAC2 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.