SCHEMBL10164982

SCHEMBL10164982

CCOC(=O)CC(=O)c1sccc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.57
PKM P14618 3/20 0.54
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
KMT2A Q03164 3/20 0.50
HPGD P15428 3/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 2/20 0.50
NFKB1 P19838 1/20 0.50
STAT1 P42224 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
ATM Q13315 1/20 0.46
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MGAM O43451 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45

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
SCHEMBL9588614 0.85 PKM (0.52) GSK3BPKMRAB9ANPC1KMT2A
SCHEMBL15269918 0.84 PKM (0.51) GSK3BPKMRAB9ANPC1KMT2A
SCHEMBL616599 0.84 PKM (0.51) GSK3BPKMRAB9ANPC1KMT2A
SCHEMBL3829093 0.81 GSK3B (0.54) GSK3BPKMRAB9ANPC1KMT2A
SCHEMBL3053745 0.79 PKM (0.67) GSK3BPKMRAB9ANPC1KMT2A
SCHEMBL5903882 0.79 GSK3B (0.65) GSK3BPKMRAB9ANPC1KMT2A
SCHEMBL6133280 0.79 GSK3B (0.65) GSK3BPKMRAB9ANPC1KMT2A
SCHEMBL6129997 0.78 GSK3B (0.69) GSK3BPKMRAB9ANPC1KMT2A
SCHEMBL15979696 0.76 GSK3B (0.71) GSK3BPKMRAB9ANPC1KMT2A
SCHEMBL8501054 0.76 GSK3B (0.51) GSK3BPKMRAB9ANPC1KMT2A

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-8293744-B2 Heterocyclic fused cinnoline M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-10-23 US disclosed
US-20120040978-A1 Heterocyclic Fused Cinnoline M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2012-02-16 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-20120040978-A1 Heterocyclic Fused Cinnoline M1 Receptor Positive Allosteric Modulators CHRM1, CNR1, CHRNA7 GSK3B 3144/4885PKM 3977/4885RAB9A 1036/4885

“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.