SCHEMBL6857896

SCHEMBL6857896

CC(C)(C)OC(=O)N[C@H](COc1cncc(Br)c1)Cc1c[nH]c2ccc(O[Si](C)(C)C(C)(C)C)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 16/20 0.53
HDAC4 P56524 16/20 0.53
HDAC1 Q13547 16/20 0.53
HDAC7 Q8WUI4 16/20 0.53
HDAC2 Q92769 16/20 0.53
HDAC10 Q969S8 16/20 0.53
HDAC11 Q96DB2 16/20 0.53
HDAC8 Q9BY41 16/20 0.53
HDAC6 Q9UBN7 16/20 0.53
HDAC9 Q9UKV0 16/20 0.53
HDAC5 Q9UQL6 16/20 0.53
DYRK3 O43781 1/20 0.41
ROCK2 O75116 1/20 0.41
PRKD3 O94806 1/20 0.41
PRKCG P05129 1/20 0.41
LCK P06239 1/20 0.41
CDK1 P06493 1/20 0.41
PIM1 P11309 1/20 0.41
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41

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
SCHEMBL6857898 1.00 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6853261 0.84 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6853259 0.84 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6855249 0.82 AKT1 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6854849 0.78 AAK1 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6854440 0.78 TACR1 (0.54) SSTR3
SCHEMBL6855560 0.78 HDAC3 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6855016 0.77 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6855020 0.77 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4788511 0.76 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 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 (2 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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 HDAC3 3415/4885HDAC4 2680/4885HDAC1 1111/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 HDAC3 3415/4885HDAC4 2680/4885HDAC1 1111/4885

“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.