SCHEMBL4393015

SCHEMBL4393015

NCC1CCC(CNS(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 6/20 0.70
HDAC3 O15379 1/20 0.68
HDAC4 P56524 1/20 0.68
HDAC1 Q13547 1/20 0.68
HDAC7 Q8WUI4 1/20 0.68
HDAC2 Q92769 1/20 0.68
HDAC10 Q969S8 1/20 0.68
HDAC11 Q96DB2 1/20 0.68
HDAC8 Q9BY41 1/20 0.68
HDAC6 Q9UBN7 1/20 0.68
HDAC9 Q9UKV0 1/20 0.68
HDAC5 Q9UQL6 1/20 0.68
NPY1R P25929 1/20 0.64
BCHE P06276 2/20 0.62
MAOB P27338 1/20 0.62
ACACB O00763 1/20 0.61
SLC6A4 P31645 2/20 0.61
LMNA P02545 2/20 0.58
PARG Q86W56 1/20 0.58
GBA1 P04062 1/20 0.57

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
SCHEMBL4393007 1.00 NPY5R (0.70) NPY5RHDAC3HDAC4HDAC1HDAC7
SCHEMBL4551118 0.91 ACACB (0.64) NPY5RHDAC3HDAC4HDAC1HDAC7
SCHEMBL13768018 0.86 NPY5R (0.73) NPY5RHDAC3HDAC4HDAC1HDAC7
SCHEMBL23052424 0.86 NPY5R (0.69) NPY5RHDAC3HDAC4HDAC1HDAC7
SCHEMBL7023898 0.85 HDAC3 (0.77) NPY5RHDAC3HDAC4HDAC1HDAC7
SCHEMBL932265 0.84 NPY5R (0.66) NPY5RHDAC3HDAC4HDAC1HDAC7
SCHEMBL13797011 0.84 NPY5R (0.66) NPY5RHDAC3HDAC4HDAC1HDAC7
SCHEMBL8208140 0.83 HDAC3 (0.78) NPY5RHDAC3HDAC4HDAC1HDAC7
SCHEMBL4007519 0.83 HDAC3 (0.71) NPY5RHDAC3HDAC4HDAC1HDAC7
SCHEMBL6584417 0.83 HDAC3 (0.78) NPY5RHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ASTRAZENECA AB (SE) 2009-12-10 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-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ACACA, ACACB, ACAT1 NPY5R 890/4885HDAC3 190/4885HDAC4 539/4885

“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.