SCHEMBL9898802

SCHEMBL9898802

Cc1csc(NC(=O)c2cc(OCC3CCCCC3)cc(Oc3ccc(-c4nnc(C)o4)cc3)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GRM5 P41594 6/20 0.49
GCK P35557 13/20 0.49
CYP3A4 P08684 2/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL9899287 0.96 GRM5 (0.51) NPC1RAB9ASMN1; SMN2GRM5GCK
SCHEMBL9898746 0.93 GRM5 (0.56) NPC1RAB9ASMN1; SMN2GRM5GCK
SCHEMBL2726506 0.88 GCK (0.53) GCK
SCHEMBL2724909 0.87 GCK (0.54) GCK
SCHEMBL9898647 0.87 NPC1 (0.49) NPC1RAB9ASMN1; SMN2GCK
SCHEMBL1271405 0.85 GCK (0.45) NPC1RAB9ASMN1; SMN2GRM5GCK
SCHEMBL2726157 0.84 GCK (0.53) GCK
SCHEMBL9898829 0.83 GCK (0.59) NPC1RAB9ASMN1; SMN2GRM5GCK
SCHEMBL9899904 0.83 GCK (0.50) NPC1RAB9ASMN1; SMN2GRM5GCK
SCHEMBL9899890 0.82 NPC1 (0.49) NPC1RAB9ASMN1; SMN2GCK

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 NPC1 1754/4885RAB9A 3593/4885SMN1; 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.