SCHEMBL2655834

SCHEMBL2655834

CC(C)Oc1ccc([N+](=O)[O-])c(C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
VCAM1 P19320 1/20 0.43
GRIA1 P42261 2/20 0.41
GRIA2 P42262 2/20 0.41
GRIA3 P42263 2/20 0.41
GRIA4 P48058 2/20 0.41
GRM6 O15303 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 3/20 0.41
PDK1 Q15118 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
APEX1 P27695 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL2657748 0.84 MAPT (0.43) MAPTVCAM1GRIA1GRIA2GRIA3
SCHEMBL404515 0.83 ALDH1A1 (0.48) MAPTVCAM1GRIA1GRIA2GRIA3
SCHEMBL1336246 0.82 MAPT (0.37) MAPTVCAM1GRIA1GRIA2GRIA3
SCHEMBL11475898 0.81 MERTK (0.48) MAPTVCAM1GRIA1GRIA2GRIA3
SCHEMBL12777477 0.81 CTRC (0.39) MAPTVCAM1HTTALDH1A1LMNA
SCHEMBL9940716 0.80 ALDH1A1 (0.51) MAPTHTTPDK1MEN1NPC1
SCHEMBL6584963 0.78 TSHR (0.51) MAPTHTTPDK1MEN1NPC1
SCHEMBL28870755 0.78 PDK1 (0.51) MAPTHTTPDK1MEN1NPC1
SCHEMBL9072647 0.77 MAPT (0.60) MAPTVCAM1MEN1NPC1RAB9A
SCHEMBL24553617 0.76 MAPT (0.62) MAPTALOX15HTTPDK1MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966152-A2 GLUCOKINASE ACTIVATORS Takeda Pharmaceutical Company Limited (JP) 2008-09-10 EP disclosed
US-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 US disclosed
US-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 US disclosed
US-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 US disclosed
WO-2007075847-A2 GLUCOKINASE ACTIVATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 WO disclosed
WO-2007075847-A2 GLUCOKINASE ACTIVATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 WO 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-20070244169-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 MAPT 3294/4885VCAM1 3405/4885GRIA1 2122/4885

“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.