SCHEMBL4396124

SCHEMBL4396124

O=C(O)NCC1CCC(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.54
PDK2 Q15119 1/20 0.54
PDK3 Q15120 1/20 0.54
PDK4 Q16654 1/20 0.54
KMT2A Q03164 5/20 0.53
MEN1 O00255 3/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP2C9 P11712 1/20 0.53
GBA1 P04062 1/20 0.51
NPY5R Q15761 2/20 0.49
THRB P10828 2/20 0.49
PARG Q86W56 1/20 0.49
ACACB O00763 1/20 0.48
FBP1 P09467 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47

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
SCHEMBL4396117 1.00 PDK1 (0.54) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL13590681 0.83 ACACB (0.72) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL4396637 0.82 KMT2A (0.53) KMT2AMEN1ALDH1A1CYP2C9GBA1
SCHEMBL4396643 0.82 KMT2A (0.53) KMT2AMEN1ALDH1A1CYP2C9GBA1
SCHEMBL14829319 0.82 ALDH1A1 (0.53) KMT2AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL3920977 0.82 KMT2A (0.69) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL4007519 0.81 HDAC3 (0.71) KMT2AMEN1ALDH1A1CYP2C9GBA1
SCHEMBL4007525 0.81 HDAC3 (0.71) KMT2AMEN1ALDH1A1CYP2C9GBA1
SCHEMBL4390035 0.80 KMT2A (0.60) KMT2AMEN1ALDH1A1CYP2C9GBA1
SCHEMBL4390037 0.80 KMT2A (0.60) KMT2AMEN1ALDH1A1CYP2C9GBA1

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
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 claimed
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 PDK1 271/4885PDK2 299/4885PDK3 387/4885

“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.