SCHEMBL9898647

SCHEMBL9898647

Cc1nnc(-c2ccc(Oc3cc(OCC4CCCCC4)cc(C(=O)Nc4ncc(C)s4)c3)cc2)o1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
P2RX3 P56373 13/20 0.43
P2RX2 Q9UBL9 13/20 0.43
GCK P35557 3/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL9899890 0.96 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1P2RX3
SCHEMBL9898826 0.93 P2RX3 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1P2RX3
SCHEMBL2726506 0.87 GCK (0.53) GCK
SCHEMBL9898802 0.87 NPC1 (0.50) NPC1RAB9ASMN1; SMN2GCK
SCHEMBL2724909 0.86 GCK (0.54) GCK
SCHEMBL1271074 0.85 RAB9A (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1P2RX3
SCHEMBL9898774 0.84 NPC1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1P2RX3
SCHEMBL9898678 0.84 GCK (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1GCK
SCHEMBL2726157 0.83 GCK (0.53) GCK
SCHEMBL9899287 0.82 GRM5 (0.51) 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.