SCHEMBL10170059

SCHEMBL10170059

COc1cc(C(=O)N2CCC3(CC2)NC(=O)c2cc(Br)ccc2N3)nc2c(C3CC3)cccc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.44
ACACA Q13085 5/20 0.44
FASN P49327 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
TACR3 P29371 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
CNR2 P34972 1/20 0.31
NEK2 P51955 1/20 0.31
TRPC6 Q9Y210 1/20 0.31

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
SCHEMBL550912 0.90 ACACB (0.53) ACACBACACAKDM4EGLAHRH3
SCHEMBL10170069 0.88 ACACB (0.42) ACACBACACAMEN1KMT2AKDM4E
SCHEMBL10170118 0.87 ACACB (0.44) ACACBACACAKDM4EGLAHRH3
SCHEMBL10170114 0.87 ACACB (0.46) ACACBACACAKDM4EGLAHRH3
SCHEMBL10170077 0.86 ACACB (0.42) ACACBACACAFASNMEN1KMT2A
SCHEMBL10169952 0.85 ACACB (0.43) ACACBACACALMNAMAPT
SCHEMBL10170397 0.82 ACACB (0.54) ACACBACACAKDM4EGLATACR3
SCHEMBL10170379 0.81 ACACB (0.53) ACACBACACAKDM4ELMNAMAPT
SCHEMBL10170392 0.80 ACACB (0.55) ACACBACACAKDM4EGLAHRH3
SCHEMBL551729 0.79 ACACB (0.53) ACACBACACAKDM4EGLAHRH3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110570-B2 Modulators of acetyl-coenzyme A carboxylase and methods of use thereof CROPSOLUTION, INC. (US) 2012-02-07 US disclosed
US-8110570-B2 Modulators of acetyl-coenzyme A carboxylase and methods of use thereof CROPSOLUTION, INC. (US) 2012-02-07 US disclosed
US-20100009982-A1 Modulators of Acetyl-Coenzyme A Carboxylase and Methods of Use Thereof CROPSOLUTION, INC. 2010-01-14 US disclosed
US-20100009982-A1 Modulators of Acetyl-Coenzyme A Carboxylase and Methods of Use Thereof CROPSOLUTION, INC. 2010-01-14 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-20100009982-A1 Modulators of Acetyl-Coenzyme A Carboxylase and Methods of Use Thereof ACACA, ACAT1, ACACB ACACB 3/4885ACACA 1/4885FASN 25/4885

“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.