SCHEMBL6500319

SCHEMBL6500319

CC(C)(C)NC(=O)OC(Cc1csc(NC(=O)OC(C)(C)C)n1)c1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.43
PI4KB Q9UBF8 1/20 0.36
HDAC3 O15379 4/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC10 Q969S8 3/20 0.35
AOC3 Q16853 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
CCR2 P41597 2/20 0.35
PTPRB P23467 5/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6500322 0.78 SIRT1 (0.39) SIRT1PI4KBHDAC3HDAC1HDAC2
SCHEMBL6492581 0.76 SMN1; SMN2 (0.46) SIRT1PI4KBAOC3NPC1ALDH1A1
SCHEMBL6683519 0.74 L3MBTL1 (0.40) HDAC1HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL6495932 0.74 AOC3 (0.54) SIRT1PI4KBHDAC3HDAC1HDAC2
SCHEMBL16123390 0.73 SIRT1 (0.52) SIRT1PI4KBHDAC3HDAC1HDAC2
SCHEMBL21228025 0.72 SIRT1 (0.48) SIRT1PI4KBHDAC3HDAC1HDAC2
SCHEMBL1030124 0.72 PI4KB (0.50) SIRT1PI4KBHDAC3HDAC1HDAC2
SCHEMBL2175797 0.72 SMN1; SMN2 (0.50) SIRT1PI4KBHDAC3HDAC1HDAC2
SCHEMBL27583385 0.72 SIRT1 (0.44) SIRT1PI4KBHDAC3HDAC1HDAC2
SCHEMBL6491199 0.72 SIRT1 (0.44) SIRT1PI4KBHDAC3HDAC1HDAC2

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 SIRT1 804/4885PI4KB 1625/4885HDAC3 557/4885

“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.