SCHEMBL2630686

SCHEMBL2630686

Nc1cc(F)ccc1NC(=O)CCCCCNC(=O)CBr

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 18/20 0.73
HDAC1 Q13547 18/20 0.73
NCOR2 Q9Y618 1/20 0.67
HDAC4 P56524 2/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC10 Q969S8 2/20 0.54
HDAC11 Q96DB2 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC9 Q9UKV0 2/20 0.54
HDAC5 Q9UQL6 2/20 0.54

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
SCHEMBL7929398 0.87 HDAC1 (0.74) HDAC3HDAC1NCOR2HDAC4HDAC7
SCHEMBL1937664 0.84 HDAC3 (1.00) HDAC3HDAC1NCOR2HDAC4HDAC2
SCHEMBL2618066 0.83 HDAC1 (0.69) HDAC3HDAC1NCOR2HDAC4HDAC7
SCHEMBL12964547 0.82 HDAC1 (0.72) HDAC3HDAC1NCOR2
SCHEMBL12964345 0.82 HDAC1 (0.72) HDAC3HDAC1NCOR2
SCHEMBL7931728 0.82 HDAC1 (0.67) HDAC3HDAC1NCOR2HDAC4HDAC7
SCHEMBL12964368 0.81 HDAC1 (0.70) HDAC3HDAC1NCOR2
SCHEMBL3234137 0.81 HDAC3 (0.70) HDAC3HDAC1NCOR2HDAC4HDAC7
SCHEMBL528531 0.81 HDAC3 (1.00) HDAC3HDAC1NCOR2HDAC2HDAC8
SCHEMBL1937893 0.80 HDAC3 (1.00) HDAC3HDAC1NCOR2

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
EP-2330894-B1 COMPOSITIONS INCLUDING 6-AMINOHEXANOIC ACID DERIVATIVES AS HDAC INHIBITORS REPLIGEN CORP (US) 2016-12-21 EP 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
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 1/4885NCOR2 55/4885
US-20120094971-A1 Compositions Including 6-Aminohexanoic Acid Derivatives As HDAC Inhibitors HDAC1, HDAC5, HDAC2 HDAC3 5/4885HDAC1 1/4885NCOR2 55/4885

“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.