SCHEMBL13072162

SCHEMBL13072162

CC(C)Oc1cc(Oc2ccc(C(=O)N3CCC3)nc2)cc(C(=O)NC2=NCCS2)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCK P35557 16/20 0.60
KCNH2 Q12809 8/20 0.58
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 2/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
KDM4E B2RXH2 1/20 0.55
CYP1A2 P05177 1/20 0.49
ABCB1 P08183 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C8 P10632 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2B6 P20813 1/20 0.49
CYP2C19 P33261 1/20 0.49
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL13072160 0.92 GCK (0.61) GCKKCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL13072155 0.85 GCK (0.59) GCKKCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL1380706 0.82 GCK (0.69) GCKKCNH2CYP1A2ABCB1CYP3A4
SCHEMBL1378945 0.82 GCK (0.82) GCKKCNH2CYP1A2ABCB1CYP3A4
SCHEMBL13071758 0.82 GCK (0.59) GCKKCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL1380644 0.81 GCK (0.66) GCKKCNH2CYP1A2ABCB1CYP3A4
SCHEMBL1381111 0.81 GCK (0.68) GCKKCNH2CYP1A2ABCB1CYP3A4
SCHEMBL1427045 0.81 GCK (0.60) GCKKCNH2CYP1A2ABCB1CYP3A4
SCHEMBL10329799 0.81 GCK (0.60) GCKKCNH2ALDH1A1CYP1A2ABCB1
SCHEMBL1377401 0.81 GCK (0.79) GCKKCNH2CYP1A2ABCB1CYP3A4

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-7842694-B2 Heteroaryl benzamide derivatives for use as GLK activators in the treatment of diabetes ASTRAZENECA AB (SE) 2010-11-30 US disclosed
US-20090264336-A1 HETEROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2009-10-22 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-20090264336-A1 HETEROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES GCK, GCKR, GK GCK 1/4885KCNH2 993/4885NPC1 2655/4885

“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.