SCHEMBL4388595

SCHEMBL4388595

O=C(O)NC[C@H]1CC[C@H](CNC(=O)c2cc(-c3ccncc3)nc3ccccc23)CC1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.76
ACACA Q13085 4/20 0.76
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
CYP2C9 P11712 2/20 0.61
MAPT P10636 2/20 0.61
CYP3A4 P08684 2/20 0.60
ALDH1A1 P00352 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
KDM4E B2RXH2 1/20 0.59
TSHR P16473 1/20 0.59
GAA P10253 1/20 0.58
TACR3 P29371 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
SCHEMBL4388602 1.00 ACACB (0.76) ACACBACACAMEN1KMT2ACYP2C9
SCHEMBL4391974 0.93 ACACB (0.74) ACACBACACACYP2C9CYP3A4ALDH1A1
SCHEMBL4391971 0.93 ACACB (0.74) ACACBACACACYP2C9CYP3A4ALDH1A1
SCHEMBL13768020 0.92 ACACB (0.76) ACACBACACAMEN1KMT2ACYP2C9
SCHEMBL13590801 0.92 ACACB (0.73) ACACBACACAMEN1KMT2ACYP2C9
Hydrochloric Acid SCHEMBL4390263 0.91 ACACB (0.72) ACACBACACAMEN1KMT2ACYP2C9
Hydrochloric Acid SCHEMBL4390259 0.91 ACACB (0.72) ACACBACACAMEN1KMT2ACYP2C9
SCHEMBL4008494 0.90 ACACB (0.80) ACACBACACAMEN1KMT2ACYP2C9
SCHEMBL4396583 0.90 ACACB (0.64) ACACBACACACYP2C9ALDH1A1L3MBTL1
SCHEMBL4390184 0.89 ACACB (0.69) ACACBACACACYP2C9MAPTCYP3A4

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 ACACB 2/4885ACACA 1/4885MEN1 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.