SCHEMBL5313737

SCHEMBL5313737

COC(=O)c1ccc(CN2CCN(C(=O)OC(C)(C)C)CCC2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.61
HDAC6 Q9UBN7 3/20 0.61
TP53 P04637 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
MAPT P10636 3/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
NR1H2 P55055 1/20 0.43
PKM P14618 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
VEGFA P15692 1/20 0.42

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
SCHEMBL1017443 0.90 HDAC1 (0.65) HDAC1HDAC6TP53SMN1; SMN2HTT
SCHEMBL29967631 0.86 ALDH1A1 (0.55) HDAC1HDAC6TP53SMN1; SMN2MAPT
SCHEMBL4788462 0.86 VEGFA (0.55) HDAC1HDAC6TP53SMN1; SMN2HTT
SCHEMBL327042 0.85 TP53 (0.50) HDAC1HDAC6TP53HDAC8KMT2A
SCHEMBL16346589 0.83 HDAC1 (0.58) HDAC1HDAC6SMN1; SMN2HTTNPSR1
SCHEMBL5312438 0.83 HDAC1 (0.44) HDAC1HDAC6SMN1; SMN2NPSR1MAPT
SCHEMBL2695429 0.80 HDAC1 (0.53) HDAC1HDAC6TP53SMN1; SMN2HTT
SCHEMBL14969496 0.80 TP53 (0.64) HDAC1HDAC6TP53HDAC8MAPT
SCHEMBL13077752 0.80 CHKA (0.61) HDAC1HDAC6SMN1; SMN2HTTNPSR1
SCHEMBL20333113 0.80 CHKA (0.61) HDAC1HDAC6SMN1; SMN2HTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007079003-A2 AMIDE INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-07-12 WO disclosed
US-20070155727-A1 Amide inhibitors of leukotriene A4 hydrolase SCHERING AKTIENGESSELLSCHAFT (DE) 2007-07-05 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 (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-20070155727-A1 Amide inhibitors of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S HDAC1 1678/4885HDAC6 2585/4885TP53 2701/4885

“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.