SCHEMBL85857

SCHEMBL85857

COc1c(C(C)=O)n(CC=O)cc(C(=O)NCc2ccccc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.48
LMNA P02545 2/20 0.47
HPGD P15428 3/20 0.46
TP53 P04637 2/20 0.46
GLA P06280 1/20 0.46
MAPT P10636 1/20 0.44
BRD4 O60885 2/20 0.43
PTPN7 P35236 1/20 0.43
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.41
CNR2 P34972 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
APEX1 P27695 1/20 0.40
CNR1 P21554 1/20 0.40

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
SCHEMBL80592 0.78 LMNA (0.52) PDE10ALMNAHPGDTP53GLA
SCHEMBL16453350 0.73 PDE10A (0.53) PDE10A
SCHEMBL16239239 0.73 RAB9A (0.41) LMNAHPGDMAPTBRD4KMT2A
SCHEMBL15883865 0.72 PDE10A (0.48) PDE10ALMNAMAPTKMT2APOLB
SCHEMBL82448 0.72 LMNA (0.51) PDE10ALMNAHPGDTP53GLA
SCHEMBL12506919 0.72 CNR2 (0.47) PDE10ALMNAHPGDMAPTKMT2A
SCHEMBL16348059 0.71 KCNA5 (0.46) PDE10ALMNAHPGDMAPTKMT2A
SCHEMBL92996 0.71 CNR2 (0.48) PDE10AHPGDPOLBCNR2
SCHEMBL19041053 0.71 LMNA (0.45) LMNAHPGDMAPTBRD4KMT2A
SCHEMBL19755569 0.70 LMNA (0.44) LMNAHPGDBRD4ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129385-B2 Substituted 5-hydroxy-3,4,6,9,9a, 10-hexanhydro-2h-1-oxa04a,8a-diaza-anthracene-6,10-dioness SHIONOGI & CO., LTD. (JP) 2012-03-06 US disclosed
US-20090318421-A1 Polycyclic carbamoylpyridone derivative having hiv integrase inhibitory activity VIIV HEALTHCARE COMPANY 2009-12-24 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-20090318421-A1 Polycyclic carbamoylpyridone derivative having hiv integrase inhibitory activity NR4A1, NCOA4, NR4A2 PDE10A 4699/4885LMNA 4751/4885HPGD 4096/4885

“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.