SCHEMBL7925202

SCHEMBL7925202

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)C/C=C/CCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.37
BRD9 Q9H8M2 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
METAP1 P53582 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
BRD4 O60885 1/20 0.35
BTN3A1 O00481 1/20 0.35
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
IDO1 P14902 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33

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 0.83 HDAC3 (0.41) HDAC3BRD9RXFP1METAP1TSHR
SCHEMBL1937844 0.83 HDAC3 (0.41) HDAC3BRD9RXFP1METAP1TSHR
SCHEMBL1938013 0.83 HDAC3 (0.41) HDAC3BRD9RXFP1ALDH1A1HTT
SCHEMBL1938014 0.83 HDAC3 (0.41) HDAC3BRD9RXFP1ALDH1A1HTT
SCHEMBL1937883 0.82 HDAC3 (0.46) HDAC3BRD9RXFP1HTTSMN1; SMN2
SCHEMBL1937882 0.82 HDAC3 (0.46) HDAC3BRD9RXFP1HTTSMN1; SMN2
SCHEMBL1937956 0.81 HDAC3 (0.37) HDAC3BRD9RXFP1METAP1BRD4
SCHEMBL1937955 0.81 HDAC3 (0.37) HDAC3BRD9RXFP1METAP1BRD4
SCHEMBL1938438 0.79 HDAC3 (0.36) HDAC3BTN3A1HTTSMN1; SMN2
SCHEMBL1938439 0.79 HDAC3 (0.36) HDAC3BTN3A1HTTSMN1; SMN2

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 3 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
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 (1 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 5/4885BRD9 290/4885RXFP1 1981/4885

“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.