SCHEMBL6853354

SCHEMBL6853354

CC(C)(C)OC(=O)NC(COc1cncc(Cl)c1C=CC#N)Cc1c[nH]c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 17/20 0.56
HDAC4 P56524 17/20 0.56
HDAC1 Q13547 17/20 0.56
HDAC7 Q8WUI4 17/20 0.56
HDAC2 Q92769 17/20 0.56
HDAC10 Q969S8 17/20 0.56
HDAC11 Q96DB2 17/20 0.56
HDAC8 Q9BY41 17/20 0.56
HDAC6 Q9UBN7 17/20 0.56
HDAC9 Q9UKV0 17/20 0.56
HDAC5 Q9UQL6 17/20 0.56
CTSL P07711 1/20 0.51
CTSS P25774 1/20 0.51
CTSK P43235 1/20 0.51
SSTR3 P32745 1/20 0.48
CYP3A4 P08684 1/20 0.47

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
SCHEMBL6853350 1.00 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6854539 0.84 AKT1 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6854534 0.84 AKT1 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6855016 0.77 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6855020 0.77 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4788511 0.76 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4788516 0.76 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14430155 0.75 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7109347 0.74 AKT1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7109345 0.74 AKT1 (0.56) 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.