SCHEMBL30557232

SCHEMBL30557232

CC(C)(C)OC(=O)n1ccc2c(Br)ccc(Cl)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
NOTUM Q6P988 2/20 0.36
BCHE P06276 1/20 0.35
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ACLY P53396 1/20 0.32
STS P08842 2/20 0.32
HTR6 P50406 1/20 0.32
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
ESR2 Q92731 1/20 0.31
MAPK8 P45983 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL23292085 1.00 BUB1 (0.38) BUB1HSP90AA1HSP90AB1NOTUMBCHE
SCHEMBL17479738 0.89 BUB1 (0.38) BUB1HSP90AA1HSP90AB1NOTUMBCHE
SCHEMBL18486750 0.84 BUB1 (0.39) BUB1HSP90AA1HSP90AB1BCHEPIK3R1
SCHEMBL26131489 0.82 HSP90AA1 (0.39) BUB1HSP90AA1HSP90AB1NOTUMBCHE
SCHEMBL16337908 0.82 BUB1 (0.37) BUB1BCHEPIK3R1PIK3CAKMT2A
SCHEMBL30143990 0.80 HSP90AA1 (0.37) BUB1HSP90AA1HSP90AB1NOTUMBCHE
SCHEMBL29326541 0.80 BUB1 (0.36) BUB1BCHEPIK3R1PIK3CAMEN1
SCHEMBL31056574 0.80 BUB1 (0.36) BUB1BCHEPIK3R1PIK3CAMEN1
SCHEMBL20577536 0.80 HSP90AA1 (0.37) BUB1HSP90AA1HSP90AB1NOTUMBCHE
SCHEMBL25294009 0.80 L3MBTL1 (0.39) HSP90AA1HSP90AB1BCHEPIK3R1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3814360-B1 HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2024-10-02 EP disclosed
US-11685746-B2 Heteroaryl compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2023-06-27 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-11685746-B2 Heteroaryl compounds for treating Huntington's disease HTT, HYPK, HDAC6 BUB1 4272/4885HSP90AA1 403/4885HSP90AB1 282/4885

“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.