SCHEMBL4400995

SCHEMBL4400995

N#Cc1cccc(C(=O)NCC2CCC(CNC(=O)NCC3CC3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
VNN1 O95497 3/20 0.52
ACACB O00763 1/20 0.52
ROCK2 O75116 1/20 0.49
NAMPT P43490 4/20 0.49
HDAC6 Q9UBN7 1/20 0.49
POLB P06746 1/20 0.48
DRD4 P21917 1/20 0.47
GPR139 Q6DWJ6 1/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
GSK3B P49841 1/20 0.47
EGLN2 Q96KS0 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
SCHEMBL4390094 0.92 MAPK14 (0.50) MEN1KMT2AVNN1ACACBROCK2
SCHEMBL4013506 0.91 GAA (0.48) MEN1KMT2AVNN1ACACBROCK2
SCHEMBL17730184 0.87 DRD4 (0.48) MEN1KMT2AVNN1ACACBNAMPT
SCHEMBL17730185 0.87 DRD4 (0.48) MEN1KMT2AVNN1ACACBNAMPT
SCHEMBL4007421 0.85 EPHX2 (0.51) ROCK2HDAC6
SCHEMBL17818371 0.82 MEN1 (0.56) MEN1KMT2AACACBHDAC6POLB
SCHEMBL4399538 0.80 HPGD (0.61) MEN1KMT2AHDAC6POLB
SCHEMBL2305837 0.77 ALDH1A1 (0.45) MEN1KMT2AVNN1ACACBNAMPT
SCHEMBL5368326 0.77 TPSAB1 (0.56) HDAC6
SCHEMBL6203164 0.76 GPR139 (0.57) ACACBNAMPTGPR139GSK3B

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 MEN1 4443/4885KMT2A 1754/4885VNN1 1261/4885

“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.