SCHEMBL2678729

SCHEMBL2678729

O=CCCCCCNC(=O)CBr

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX2 P34913 2/20 0.39
CASP2 P42575 1/20 0.38
SLC6A5 Q9Y345 2/20 0.38
TSHR P16473 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL26257214 0.86 ALDH1A1 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16853228 0.85 ALDH1A1 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16853231 0.85 ALDH1A1 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3303701 0.85 ALDH1A1 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16853229 0.85 ALDH1A1 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23475919 0.85 ALDH1A1 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16853225 0.85 ALDH1A1 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16853230 0.85 ALDH1A1 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16853226 0.85 ALDH1A1 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3730617 0.83

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130022628-A1 ACYL PSEUDOPEPTIDES WHICH CARRY A FUNCTIONALIZED AUXILIARY ARM OM PHARMA (CH) 2013-01-24 US disclosed
US-8173133-B2 Acyl pseudodipeptides which carry a functionalized auxiliary arm OM PHARMA (CH) 2012-05-08 US disclosed
US-7799762-B2 Acyl pseudodipeptides which carry a functionalised auxialiary arm OM PHARMA (CH) 2010-09-21 US disclosed
US-20100215685-A1 ACYL PSEUDODIPEPTIDES WHICH CARRY A FUNCTIONALIZED AUXILIARY ARM OM PHARMA (CH) 2010-08-26 US disclosed
US-20050192232-A1 Novel acyl-dipeptide-like compounds bearing an accessory functional side chain spacer, a method for preparing the same and pharmaceutical compositions containing such products OM PHARMA (CH) 2005-09-01 US disclosed
US-20030203852-A1 Acyl pseudodipeptides which carry a functionalised auxialiary arm OM PHARMA (CH) 2003-10-30 US disclosed
CN-1434795-A Acylated Pseudodipeptides with Functionalized Auxiliary Branches OM PHARMA (CH) 2003-08-06 CN disclosed
EP-1242365-A1 ACYL PSEUDODIPEPTIDES WHICH CARRY A FUNCTIONALISED AUXILIARY ARM OM Pharma (CH) 2002-09-25 EP disclosed
WO-2001046126-A1 ACYL PSEUDODIPEPTIDES WHICH CARRY A FUNCTIONALISED AUXILIARY ARM OM PHARMA (CH) 2001-06-28 WO disclosed
WO-2001046127-A1 ACYL PSEUDOPEPTIDES BEARING A FUNCTIONALISED AUXILIARY SPACER OM PHARMA (CH) 2001-06-28 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 (4 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-20050192232-A1 Novel acyl-dipeptide-like compounds bearing an accessory functional side chain spacer, a method for preparing the same and pharmaceutical compositions containing such products PIGS, AADAT, CD74 HDAC3 1679/4885HDAC4 1134/4885HDAC1 3286/4885
US-20030203852-A1 Acyl pseudodipeptides which carry a functionalised auxialiary arm PIGS, AADAC, ENPP2 HDAC3 1797/4885HDAC4 1446/4885HDAC1 3936/4885
US-20100215685-A1 ACYL PSEUDODIPEPTIDES WHICH CARRY A FUNCTIONALIZED AUXILIARY ARM PIGS, DNPEP, ENPP2 HDAC3 1279/4885HDAC4 1262/4885HDAC1 4141/4885
US-20130022628-A1 ACYL PSEUDOPEPTIDES WHICH CARRY A FUNCTIONALIZED AUXILIARY ARM PIGS, ENPEP, DNPEP HDAC3 1552/4885HDAC4 1430/4885HDAC1 4110/4885

“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.