SCHEMBL13072155

SCHEMBL13072155

CC(C)Oc1cc(Oc2ccc(C(=O)N3CCC3)cn2)cc(C(=O)NC2=NCCS2)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCK P35557 13/20 0.59
NPC1 O15118 2/20 0.56
ALDH1A1 P00352 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 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
KCNH2 Q12809 7/20 0.52
HRH3 Q9Y5N1 5/20 0.48
CYP1A2 P05177 1/20 0.48
ABCB1 P08183 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2B6 P20813 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL13071758 0.85 GCK (0.59) GCKNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL13072162 0.85 GCK (0.60) GCKNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL13282846 0.83 NPC1 (0.59) GCKNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL13283042 0.83 NPC1 (0.59) GCKNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1380947 0.82 GCK (0.69) GCKKCNH2CYP1A2ABCB1CYP3A4
SCHEMBL1426945 0.82 GCK (0.82) GCKKCNH2HRH3CYP1A2ABCB1
SCHEMBL1378663 0.81 GCK (0.79) GCKKCNH2CYP1A2ABCB1CYP3A4
SCHEMBL13072160 0.78 GCK (0.61) GCKNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL13988997 0.77 NPC1 (0.72) GCKNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1426913 0.75 GCK (0.82) GCKKCNH2

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 1/4885NPC1 2655/4885ALDH1A1 1116/4885

“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.