SCHEMBL6491199

SCHEMBL6491199

CC(C)(C)OC(=O)Nc1nc(CCOc2ccc(N)cn2)cs1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.44
AOC3 Q16853 5/20 0.41
MAOB P27338 2/20 0.40
MAPKAPK2 P49137 6/20 0.39
PI4KB Q9UBF8 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SREBF2 Q12772 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
CCR2 P41597 1/20 0.36

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
SCHEMBL6492581 0.86 SMN1; SMN2 (0.46) SIRT1AOC3MAOBMAPKAPK2PI4KB
SCHEMBL6488833 0.84 SIRT1 (0.40) SIRT1NPC1RAB9ASMN1; SMN2CCR2
SCHEMBL6499711 0.81 SIRT1 (0.42) SIRT1AOC3MAOBMAPKAPK2PI4KB
SCHEMBL6500770 0.80 ITGB3 (0.41) MAPKAPK2HDAC1CCR2
SCHEMBL6495932 0.80 AOC3 (0.54) SIRT1AOC3MAOBPI4KBNPC1
SCHEMBL2656935 0.79 RAB9A (0.51) SIRT1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL6681346 0.78 SIRT1 (0.49) SIRT1AOC3MAOBPI4KBSMN1; SMN2
SCHEMBL2656976 0.77 SIRT1 (0.44) SIRT1AOC3PI4KBSMN1; SMN2SREBF2
SCHEMBL27729888 0.77 SIRT1 (0.46) SIRT1AOC3MAOBPI4KBNPC1
SCHEMBL12742401 0.76 PTPRB (0.49) SIRT1AOC3MAPKAPK2PI4KBSMN1; SMN2

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 804/4885AOC3 227/4885MAOB 46/4885

“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.