SCHEMBL552466

SCHEMBL552466

O=C1NC2(CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)Oc2ccc(Br)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.42
GPR183 P32249 1/20 0.42
HDAC3 O15379 5/20 0.40
HDAC4 P56524 5/20 0.40
HDAC1 Q13547 5/20 0.40
HDAC7 Q8WUI4 5/20 0.40
HDAC2 Q92769 5/20 0.40
HDAC10 Q969S8 5/20 0.40
HDAC11 Q96DB2 5/20 0.40
HDAC8 Q9BY41 5/20 0.40
HDAC6 Q9UBN7 5/20 0.40
HDAC9 Q9UKV0 5/20 0.40
HDAC5 Q9UQL6 5/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACACA Q13085 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL551123 0.86 ACACB (0.41) ACACBGPR183HDAC3HDAC4HDAC1
SCHEMBL551465 0.84 GPR183 (0.49) ACACBGPR183HDAC3HDAC4HDAC1
SCHEMBL551454 0.82 ACACB (0.59) ACACBGPR183ACACA
SCHEMBL551457 0.80 MEN1 (0.52) ACACBHDAC3HDAC4HDAC1HDAC7
SCHEMBL552165 0.78 ACACB (0.66) ACACBL3MBTL1MEN1KMT2A
SCHEMBL551954 0.77 NEK2 (0.42) ACACBHDAC3HDAC4HDAC1HDAC7
SCHEMBL551190 0.77 ACACB (0.48) ACACBHDAC3HDAC4HDAC1HDAC7
SCHEMBL551329 0.76 HDAC3 (0.42) ACACBHDAC3HDAC4HDAC1HDAC7
SCHEMBL552419 0.76 HRH4 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL550918 0.76 PTK2 (0.48) ACACBHDAC3HDAC4HDAC1HDAC7

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 ACACB 3/4885GPR183 3663/4885HDAC3 130/4885

“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.