SCHEMBL9898959

SCHEMBL9898959

COC(C)CCOc1cc(Oc2ccc(-c3nnc(C)o3)cc2)cc(C(=O)Nc2nc(C)cs2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCK P35557 15/20 0.51
GRM5 P41594 4/20 0.47
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 2/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.42

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
SCHEMBL2734081 0.92 GCK (0.49) GCKGRM5CYP3A4DRD3SLC6A3
SCHEMBL9899935 0.88 GCK (0.55) GCKKCNH2
SCHEMBL9896539 0.87 GRM5 (0.56) GCKGRM5KCNH2
SCHEMBL9896541 0.87 GRM5 (0.56) GCKGRM5KCNH2
SCHEMBL9897876 0.87 GCK (0.40) GCKNPC1RAB9ASMN1; SMN2KCNH2
SCHEMBL9899904 0.86 GCK (0.50) GCKGRM5NPC1HPGDRAB9A
SCHEMBL9899287 0.83 GRM5 (0.51) GCKGRM5NPC1RAB9ASMN1; SMN2
SCHEMBL9898829 0.82 GCK (0.59) GCKGRM5NPC1HPGDRAB9A
SCHEMBL9898802 0.81 NPC1 (0.50) GCKGRM5NPC1RAB9ASMN1; SMN2
SCHEMBL9898746 0.81 GRM5 (0.56) GCKGRM5NPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450494-B2 Disubstituted benzamide derivatives as glucokinase (GK) activators CADILA HEALTHCARE LIMITED (IN) 2013-05-28 US disclosed
US-20120149704-A1 DISUBSTITUTED BENZAMIDE DERIVATIVES AS GLUCOKINASE (GK) ACTIVATORS CADILA HEALTHCARE LIMITED (IN) 2012-06-14 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-20120149704-A1 DISUBSTITUTED BENZAMIDE DERIVATIVES AS GLUCOKINASE (GK) ACTIVATORS GCKR, GCK, GK GCK 2/4885GRM5 1650/4885NPC1 1754/4885

“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.