SCHEMBL1937844

SCHEMBL1937844

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)CC=CCCO

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
BRD9 Q9H8M2 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 1/20 0.37
TSHR P16473 1/20 0.37
METAP1 P53582 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37

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
SCHEMBL1937843 1.00 HDAC3 (0.41) HDAC3HTTSMN1; SMN2RXFP1LMNA
SCHEMBL1938013 0.90 HDAC3 (0.41) HDAC3HTTSMN1; SMN2RXFP1LMNA
SCHEMBL1938014 0.90 HDAC3 (0.41) HDAC3HTTSMN1; SMN2RXFP1LMNA
SCHEMBL1937882 0.89 HDAC3 (0.46) HDAC3HTTSMN1; SMN2RXFP1LMNA
SCHEMBL1937883 0.89 HDAC3 (0.46) HDAC3HTTSMN1; SMN2RXFP1LMNA
SCHEMBL1937956 0.83 HDAC3 (0.37) HDAC3HTTSMN1; SMN2RXFP1LMNA
SCHEMBL1938430 0.83 HDAC3 (0.37) HDAC3HTTSMN1; SMN2RXFP1LMNA
SCHEMBL1938431 0.83 HDAC3 (0.37) HDAC3HTTSMN1; SMN2RXFP1LMNA
SCHEMBL1937955 0.83 HDAC3 (0.37) HDAC3HTTSMN1; SMN2RXFP1LMNA
SCHEMBL7925202 0.83 HDAC3 (0.37) HDAC3HTTSMN1; SMN2RXFP1LMNA

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 5/4885HTT 299/4885SMN1; SMN2 774/4885
US-20120094971-A1 Compositions Including 6-Aminohexanoic Acid Derivatives As HDAC Inhibitors HDAC1, HDAC5, HDAC2 HDAC3 5/4885HTT 299/4885SMN1; SMN2 774/4885

“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.