Sugi Predict

Sugi Predict / Compounds / SCHEMBL551954

SCHEMBL551954

SCHEMBL551954

O=C1NC2(CCN(C(=O)c3cccc(-c4cc[nH]n4)c3)CC2)Oc2ccc(Br)cc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NEK2 P51955 1/20 0.42
▸ HDAC3 O15379 6/20 0.39
▸ HDAC4 P56524 6/20 0.39
▸ HDAC1 Q13547 6/20 0.39
▸ HDAC7 Q8WUI4 6/20 0.39
▸ HDAC2 Q92769 6/20 0.39
▸ HDAC10 Q969S8 6/20 0.39
▸ HDAC11 Q96DB2 6/20 0.39
▸ HDAC8 Q9BY41 6/20 0.39
▸ HDAC6 Q9UBN7 6/20 0.39
▸ HDAC9 Q9UKV0 6/20 0.39
▸ HDAC5 Q9UQL6 6/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ABL1 P00519 2/20 0.38
▸ ACACB O00763 4/20 0.37
▸ HPGD P15428 2/20 0.36
▸ ACACA Q13085 2/20 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) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL552465 0.90 MEN1 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL550902 0.87 ACACB (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL551334 0.87 MEN1 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL550996 0.86 CRBN (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL551190 0.85 ACACB (0.48) NEK2HDAC3HDAC4HDAC1HDAC7
SCHEMBL551329 0.83 HDAC3 (0.42) NEK2HDAC3HDAC4HDAC1HDAC7
SCHEMBL551465 0.79 GPR183 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL552442 0.78 HDAC3 (0.41) NEK2HDAC3HDAC4HDAC1HDAC7
SCHEMBL552466 0.77 ACACB (0.42) NEK2HDAC3HDAC4HDAC1HDAC7

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 6 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
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 NEK2 2659/4885HDAC3 130/4885HDAC4 343/4885

“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.