SCHEMBL1936749

SCHEMBL1936749

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

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 8/20 0.65
HDAC1 Q13547 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
CTSK P43235 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ESRRG P62508 1/20 0.39
NR1H2 P55055 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
CD274 Q9NZQ7 1/20 0.38

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
SCHEMBL1938578 1.00 HDAC3 (0.65) HDAC3HDAC1NPC1RAB9AHDAC2
SCHEMBL1938491 0.93 HDAC3 (0.69) HDAC3HDAC1NPC1RAB9AHDAC2
SCHEMBL1938492 0.93 HDAC3 (0.69) HDAC3HDAC1NPC1RAB9AHDAC2
SCHEMBL2120691 0.85 HDAC3 (0.50) HDAC3HDAC1HDAC2SMN1; SMN2LMNA
SCHEMBL2120692 0.85 HDAC3 (0.50) HDAC3HDAC1HDAC2SMN1; SMN2LMNA
SCHEMBL1938013 0.83 HDAC3 (0.41) HDAC3CTSKSMN1; SMN2LMNAPOLB
SCHEMBL1937844 0.83 HDAC3 (0.41) HDAC3RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL1937843 0.83 HDAC3 (0.41) HDAC3RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL1938014 0.83 HDAC3 (0.41) HDAC3CTSKSMN1; SMN2LMNAPOLB
SCHEMBL1937882 0.82 HDAC3 (0.46) HDAC3HDAC1RAB9AHDAC2NCOR2

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 5/4885HDAC1 1/4885NPC1 3728/4885
US-20120094971-A1 Compositions Including 6-Aminohexanoic Acid Derivatives As HDAC Inhibitors HDAC1, HDAC5, HDAC2 HDAC3 5/4885HDAC1 1/4885NPC1 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.