SCHEMBL550902

SCHEMBL550902

Cc1cc2c(cc1C)C(=O)NC1(CCN(C(=O)c3cccc(-c4cc[nH]n4)c3)CC1)O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.41
ACACA Q13085 2/20 0.38
ABL1 P00519 2/20 0.38
PARP1 P09874 1/20 0.38
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
USP7 Q93009 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36

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
SCHEMBL551291 0.90 ACACB (0.43) ACACBACACAABL1PARP1GABRD
SCHEMBL552465 0.87 MEN1 (0.42) ACACBABL1USP7HDAC3HDAC4
SCHEMBL551954 0.87 NEK2 (0.42) ACACBACACAABL1HDAC3HDAC4
SCHEMBL551334 0.86 MEN1 (0.42) ACACBACACAABL1PARP1USP7
SCHEMBL550996 0.85 CRBN (0.46) ACACBACACAABL1GABRDGABRA1
SCHEMBL4496352 0.85 ACACB (0.56) ACACBACACAHDAC3HDAC4HDAC1
SCHEMBL4261368 0.79 ACACB (0.49) ACACBACACAHDAC3HDAC4HDAC1
SCHEMBL4504972 0.79 ACACB (0.49) ACACBACACAHDAC3HDAC4HDAC1
SCHEMBL4506791 0.79 ACACB (0.49) ACACBACACAHDAC3HDAC4HDAC1
SCHEMBL4255453 0.77 ACACB (0.51) ACACBACACAHDAC3HDAC4HDAC1

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 1/4885ABL1 4728/4885

“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.