SCHEMBL3040689

SCHEMBL3040689

O=C(O)Cc1csc(Nc2ccc(Oc3ccccc3)cn2)n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.52
MAPT P10636 5/20 0.49
PDE5A O76074 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
GCK P35557 1/20 0.44
MME P08473 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
CCNK O75909 1/20 0.41
DDB1 Q16531 1/20 0.41
CDK12 Q9NYV4 1/20 0.41

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
SCHEMBL2669505 0.87 MAPT (0.43) GAAMAPTPDE5ANPC1RAB9A
SCHEMBL2657937 0.85 MAPT (0.53) GAAMAPTPDE5ANPC1RAB9A
SCHEMBL13822848 0.81 RAB9A (0.45) GAAMAPTNPC1RAB9AALDH1A1
SCHEMBL3043516 0.80 GAA (0.51) GAAMAPTPDE5ANPC1RAB9A
SCHEMBL13822849 0.78 GCK (0.57) GAAMAPTNPC1RAB9AALDH1A1
SCHEMBL3611513 0.76 ALDH1A1 (0.62) GAAALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL1329122 0.75 GCK (0.67) GAAMAPTPDE5AGCK
SCHEMBL12050121 0.75 ALDH1A1 (0.68) GAAMAPTPDE5ANPC1RAB9A
SCHEMBL12050096 0.74 MAPT (0.59) GAAMAPTPDE5ANPC1RAB9A
SCHEMBL11587669 0.72 GAA (0.63) GAAMAPTPDE5AALDH1A1SMN1; SMN2

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-8420642-B2 Pyridine derivatives useful as glucokinase activators MERCK PATENT GMBH (DE) 2013-04-16 US claimed
US-20100216794-A1 PYRIDINE DERIVATIVES USEFUL AS GLUCOKINASE ACTIVATORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-08-26 US claimed

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-20100216794-A1 PYRIDINE DERIVATIVES USEFUL AS GLUCOKINASE ACTIVATORS HK1, GCKR, GCK GAA 564/4885MAPT 2751/4885PDE5A 2629/4885

“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.