SCHEMBL551053

SCHEMBL551053

COc1cc(C(=O)N2CCC3(CC2)NC(=O)c2cc(-c4nnn[nH]4)ccc2N3)nc2c(OC)cccc12

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.50
ACACA Q13085 6/20 0.50
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TNKS O95271 7/20 0.32
TNKS2 Q9H2K2 7/20 0.32
PARP1 P09874 4/20 0.32
PARP2 Q9UGN5 3/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
MGLL Q99685 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL10170077 0.91 ACACB (0.42) ACACBACACAMGLL
SCHEMBL1681569 0.88 ACACB (0.46) ACACBACACALMNAMAPTTNKS
SCHEMBL10170397 0.86 ACACB (0.54) ACACBACACALMNAMAPTTNKS
SCHEMBL552199 0.86 ACACB (0.48) ACACBACACALMNAMAPT
SCHEMBL10170379 0.86 ACACB (0.53) ACACBACACALMNAMAPTKDM4E
SCHEMBL550912 0.85 ACACB (0.53) ACACBACACALMNAMAPTTNKS
SCHEMBL10170392 0.85 ACACB (0.55) ACACBACACALMNAMAPTKDM4E
SCHEMBL551729 0.83 ACACB (0.53) ACACBACACALMNAMAPTKDM4E
SCHEMBL552021 0.82 ACACB (0.50) ACACBACACALMNAMAPT
SCHEMBL502540 0.82 ACACB (0.47) ACACBACACA

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 8 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-8110570-B2 Modulators of acetyl-coenzyme A carboxylase and methods of use thereof CROPSOLUTION, INC. (US) 2012-02-07 US disclosed
EP-2310015-A1 MODULATORS OF ACETYL-COENZYME A CARBOXYLASE AND METHODS OF USE THEREOF Cropsolution, Inc. (US) 2011-04-20 EP disclosed
WO-2010008521-A1 MODULATORS OF ACETYL-COENZYME A CARBOXYLASE AND METHODS OF USE THEREOF CROPSOLUTION, INC. (US) 2010-01-21 WO 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
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 1/4885LMNA 2920/4885

“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.