SCHEMBL2631174

SCHEMBL2631174

COC(=O)CCCCCNC(=O)c1ccc(C)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.68
NPC1 O15118 3/20 0.60
RAB9A P51151 1/20 0.60
MAPK1 P28482 1/20 0.59
HDAC3 O15379 5/20 0.57
HDAC1 Q13547 5/20 0.57
ALDH1A1 P00352 1/20 0.57
HDAC2 Q92769 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
POLB P06746 3/20 0.55
LMNA P02545 2/20 0.55
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
MMP13 P45452 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL28706800 0.88 NPC1 (0.60) L3MBTL1NPC1RAB9AMAPK1HDAC3
SCHEMBL28706039 0.88 NPC1 (0.60) L3MBTL1NPC1RAB9AMAPK1HDAC3
SCHEMBL14120823 0.87 POLB (0.62) L3MBTL1NPC1RAB9AALDH1A1POLB
SCHEMBL9489979 0.87 L3MBTL1 (0.86) L3MBTL1NPC1RAB9AMAPK1HDAC3
SCHEMBL1233065 0.87 NPC1 (0.82) NPC1RAB9AMAPK1HDAC3HDAC1
SCHEMBL1232846 0.87 NPC1 (0.59) L3MBTL1NPC1RAB9AMAPK1HDAC3
SCHEMBL4954251 0.87 NPC1 (0.59) L3MBTL1NPC1RAB9AMAPK1HDAC3
SCHEMBL450259 0.87 NPC1 (0.59) L3MBTL1NPC1RAB9AMAPK1HDAC3
SCHEMBL12672001 0.86 NAAA (0.67) NPC1RAB9AMAPK1HDAC3HDAC1
SCHEMBL21678062 0.85 HDAC3 (0.71) L3MBTL1NPC1RAB9AMAPK1HDAC3

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 L3MBTL1 2724/4885NPC1 3728/4885RAB9A 3347/4885
US-20120094971-A1 Compositions Including 6-Aminohexanoic Acid Derivatives As HDAC Inhibitors HDAC1, HDAC5, HDAC2 L3MBTL1 2724/4885NPC1 3728/4885RAB9A 3347/4885

“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.