SCHEMBL2631739

SCHEMBL2631739

O=C(O)CCCCCNC(=O)c1nccs1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.60
HDAC3 O15379 3/20 0.60
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
MAPK1 P28482 2/20 0.54
POLB P06746 2/20 0.47
CES1 P23141 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PRMT1 Q99873 1/20 0.46
HDAC6 Q9UBN7 5/20 0.46
PLA2G4A P47712 1/20 0.45
TBXAS1 P24557 1/20 0.44
LMNA P02545 2/20 0.44
ADRA1A P35348 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2631740 0.86 HDAC1 (0.58) HDAC1HDAC3CES1ALDH1A1HDAC6
SCHEMBL10244836 0.80 HDAC3 (0.51) HDAC1HDAC3CYP1A2CYP2C9CYP2C19
SCHEMBL10709105 0.80 HDAC3 (0.47) HDAC1HDAC3CES1KDM4EALDH1A1
SCHEMBL19485706 0.79 HDAC1 (0.52) HDAC1HDAC3CES1ALDH1A1HDAC6
SCHEMBL9331076 0.78 ALDH1A1 (0.48) HDAC1HDAC3KDM4EALDH1A1HDAC6
SCHEMBL3504687 0.76 HDAC3 (0.53) HDAC1HDAC3CYP1A2KDM4EALDH1A1
SCHEMBL2237673 0.76 HDAC3 (0.48) HDAC1HDAC3CES1ALDH1A1PLA2G4A
SCHEMBL2237666 0.76 HDAC3 (0.48) HDAC1HDAC3CES1ALDH1A1PLA2G4A
SCHEMBL1939007 0.76 HDAC1 (1.00) HDAC1HDAC3
SCHEMBL31673788 0.76 HDAC1 (1.00) HDAC1HDAC3

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 5/4885CYP1A2 896/4885
US-20120094971-A1 Compositions Including 6-Aminohexanoic Acid Derivatives As HDAC Inhibitors HDAC1, HDAC5, HDAC2 HDAC1 1/4885HDAC3 5/4885CYP1A2 896/4885

“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.