SCHEMBL6858075

SCHEMBL6858075

CC(C)(C)OC(=O)NC(COc1cncc(-c2ccc(C=O)cc2)c1)Cc1c[nH]c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 10/20 0.63
HDAC4 P56524 10/20 0.63
HDAC1 Q13547 10/20 0.63
HDAC7 Q8WUI4 10/20 0.63
HDAC2 Q92769 10/20 0.63
HDAC10 Q969S8 10/20 0.63
HDAC11 Q96DB2 10/20 0.63
HDAC8 Q9BY41 10/20 0.63
HDAC6 Q9UBN7 10/20 0.63
HDAC9 Q9UKV0 10/20 0.63
HDAC5 Q9UQL6 10/20 0.63
AKT1 P31749 10/20 0.57
ROCK2 O75116 2/20 0.57
PIM1 P11309 2/20 0.57
RPS6KB1 P23443 2/20 0.57
AKT2 P31751 2/20 0.57
GSK3A P49840 2/20 0.57
GSK3B P49841 2/20 0.57
RPS6KA3 P51812 2/20 0.57
LIMK1 P53667 2/20 0.57

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
SCHEMBL6858072 1.00 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6853403 0.88 AKT1 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6854661 0.87 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6854667 0.87 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6926599 0.87 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6855017 0.87 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6855012 0.87 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6855367 0.86 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6855362 0.86 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6855460 0.86 AKT1 (0.58) 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.