SCHEMBL9897876

SCHEMBL9897876

COC(C)CCOc1cc(Oc2ccc(-c3nnc(C)o3)cc2)cc(C(=O)Nc2ncc(C)s2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCK P35557 10/20 0.40
KCNH2 Q12809 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPK14 Q16539 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2A1 P68400 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PAX8 Q06710 1/20 0.37

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
SCHEMBL9898059 0.88 GCK (0.53) GCKKCNH2
SCHEMBL9897078 0.88 GCK (0.53) GCKKCNH2
SCHEMBL9899935 0.87 GCK (0.55) GCKKCNH2
SCHEMBL9898959 0.87 GCK (0.51) GCKKCNH2SMN1; SMN2NPC1RAB9A
SCHEMBL2724685 0.85 GCK (0.41) GCKSMN1; SMN2NPC1RAB9ATP53
SCHEMBL9898678 0.84 GCK (0.44) GCKSMN1; SMN2NPC1RAB9ATP53
SCHEMBL9899890 0.83 NPC1 (0.49) GCKSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL9898774 0.82 NPC1 (0.43) GCKKCNH2SMN1; SMN2NPC1RAB9A
SCHEMBL9898647 0.81 NPC1 (0.49) GCKSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL9898851 0.81 GCK (0.55) GCKKCNH2SMN1; SMN2NPC1RAB9A

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 2/4885KCNH2 256/4885SMN1; SMN2 3730/4885

“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.