SCHEMBL4396643

SCHEMBL4396643

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 2/20 0.53
CYP2C9 P11712 1/20 0.53
GBA1 P04062 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
PARG Q86W56 1/20 0.49
ACACB O00763 1/20 0.48
HTR2C P28335 1/20 0.47
HTR2B P41595 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
SCHEMBL4396637 1.00 KMT2A (0.53) KMT2AALDH1A1MEN1CYP2C9GBA1
SCHEMBL4005870 0.83 PARG (0.52) KMT2AALDH1A1MEN1CYP2C9GBA1
SCHEMBL13590679 0.83 ACACB (0.72) KMT2AALDH1A1MEN1CYP2C9HDAC3
SCHEMBL4396117 0.82 PDK1 (0.54) KMT2AALDH1A1MEN1CYP2C9GBA1
SCHEMBL4396124 0.82 PDK1 (0.54) KMT2AALDH1A1MEN1CYP2C9GBA1
SCHEMBL4007525 0.81 HDAC3 (0.71) KMT2AALDH1A1MEN1CYP2C9GBA1
SCHEMBL4007519 0.81 HDAC3 (0.71) KMT2AALDH1A1MEN1CYP2C9GBA1
SCHEMBL4394257 0.79 ALDH1A1 (0.59) KMT2AALDH1A1MEN1CYP2C9MAPT
SCHEMBL4400806 0.79 GBA1 (0.66) KMT2AALDH1A1MEN1CYP2C9GBA1
SCHEMBL4400809 0.79 GBA1 (0.66) KMT2AALDH1A1MEN1CYP2C9GBA1

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 KMT2A 1754/4885ALDH1A1 169/4885MEN1 4443/4885

“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.