SCHEMBL6501309

SCHEMBL6501309

Cc1ccc(C2=C(C(=O)Nc3ccc(N(CCc4cccc(NC(=O)OC(C)(C)C)n4)C(=O)OC(C)(C)C)nc3)CCCC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.34
F2 P00734 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
NAMPT P43490 1/20 0.32
HDAC6 Q9UBN7 5/20 0.32
DGAT1 O75907 3/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
HDAC1 Q13547 4/20 0.31
CYP17A1 P05093 2/20 0.31
HDAC3 O15379 2/20 0.31
HDAC10 Q969S8 2/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
HDAC4 P56524 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL6500169 0.92 DGAT1 (0.34) HDAC6DGAT1HDAC1HDAC8
SCHEMBL6500413 0.90 TP53 (0.35) TP53F2POLBTHRBHDAC6
SCHEMBL6490990 0.88 CYP17A1 (0.34) THRBNAMPTHDAC6DGAT1HDAC1
SCHEMBL6533865 0.85 ITGB3 (0.37) TP53POLBTHRBNAMPTDGAT1
SCHEMBL6490168 0.83 RXFP1 (0.35) HDAC6HDAC1CYP17A1
SCHEMBL6682919 0.82 CYP17A1 (0.38) TP53POLBTHRBNAMPTHDAC6
SCHEMBL6500346 0.81 SREBF2 (0.35) TP53HDAC6DGAT1HDAC1CYP17A1
SCHEMBL6645757 0.80 THRB (0.35) TP53F2THRBDGAT1ADORA3
SCHEMBL6489540 0.80 TP53 (0.36) TP53POLBHDAC6DGAT1HDAC1
SCHEMBL6498208 0.79 CYP17A1 (0.37) POLBNAMPTHDAC6HDAC1CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 TP53 3031/4885F2 62/4885POLB 1626/4885

“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.