SCHEMBL4396583

SCHEMBL4396583

O=C(O)NC[C@H]1CC[C@H](CNC(=O)c2cc(-c3cccnc3)nc3ccccc23)CC1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.64
CYP2C9 P11712 4/20 0.63
ACACA Q13085 3/20 0.62
TP53 P04637 2/20 0.62
MAPK1 P28482 1/20 0.61
ALDH1A1 P00352 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
KDM4E B2RXH2 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
LMNA P02545 1/20 0.56

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
SCHEMBL4391974 0.92 ACACB (0.74) ACACBCYP2C9ACACAMAPK1ALDH1A1
SCHEMBL4391971 0.92 ACACB (0.74) ACACBCYP2C9ACACAMAPK1ALDH1A1
SCHEMBL4393444 0.91 ACACB (0.62) ACACBCYP2C9ACACATP53MAPK1
SCHEMBL4392944 0.91 ACACB (0.62) ACACBCYP2C9ACACATP53MAPK1
SCHEMBL4388602 0.90 ACACB (0.76) ACACBCYP2C9ACACAALDH1A1KDM4E
SCHEMBL4388595 0.90 ACACB (0.76) ACACBCYP2C9ACACAALDH1A1KDM4E
SCHEMBL13590604 0.87 ACACB (0.86) ACACBCYP2C9ACACATP53
SCHEMBL4393431 0.87 CYP3A4 (0.62) ACACBCYP2C9ACACAALDH1A1KDM4E
SCHEMBL4391848 0.87 CYP3A4 (0.62) ACACBCYP2C9ACACAALDH1A1KDM4E
SCHEMBL4390184 0.85 ACACB (0.69) ACACBCYP2C9ACACATP53ALDH1A1

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 2/4885CYP2C9 915/4885ACACA 1/4885

“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.