SCHEMBL2631740

SCHEMBL2631740

COC(=O)CCCCCNC(=O)c1nccs1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.58
HDAC3 O15379 6/20 0.58
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HDAC6 Q9UBN7 8/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
CES1 P23141 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL19485706 0.90 HDAC1 (0.52) HDAC1HDAC3ALDH1A1SMN1; SMN2HDAC6
SCHEMBL2631739 0.86 HDAC1 (0.60) HDAC1HDAC3ALDH1A1SMN1; SMN2HDAC6
SCHEMBL22170880 0.81 HDAC3 (0.61) HDAC1HDAC3ALDH1A1HDAC6CES1
SCHEMBL10244836 0.81 HDAC3 (0.51) HDAC1HDAC3ALDH1A1SMN1; SMN2HDAC6
SCHEMBL30968179 0.81 ALDH1A1 (0.49) HDAC1HDAC3ALDH1A1SMN1; SMN2LMNA
SCHEMBL27284568 0.77 HDAC3 (0.48) HDAC1HDAC3ALDH1A1HDAC6
SCHEMBL9331076 0.76 ALDH1A1 (0.48) HDAC1HDAC3ALDH1A1SMN1; SMN2HDAC6
SCHEMBL26661152 0.74 CYP1A2 (0.71) HDAC1HDAC3ALDH1A1SMN1; SMN2HDAC6
SCHEMBL3504687 0.74 HDAC3 (0.53) HDAC1HDAC3ALDH1A1SMN1; SMN2LMNA
SCHEMBL10709105 0.74 HDAC3 (0.47) HDAC1HDAC3ALDH1A1SMN1; SMN2CES1

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 4 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

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 HDAC1 1/4885HDAC3 5/4885ALDH1A1 194/4885
US-20120094971-A1 Compositions Including 6-Aminohexanoic Acid Derivatives As HDAC Inhibitors HDAC1, HDAC5, HDAC2 HDAC1 1/4885HDAC3 5/4885ALDH1A1 194/4885

“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.