SCHEMBL2657748

SCHEMBL2657748

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
GCK P35557 5/20 0.39
HCAR3 P49019 1/20 0.39
VCAM1 P19320 1/20 0.38
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRIA1 P42261 2/20 0.36
GRIA2 P42262 2/20 0.36
GRIA3 P42263 2/20 0.36
GRIA4 P48058 2/20 0.36
GRM6 O15303 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX15 P16050 1/20 0.36
ABL1 P00519 2/20 0.35

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
SCHEMBL2655834 0.84 MAPT (0.43) MAPTVCAM1ALDH1A1HTTGRIA1
SCHEMBL2654941 0.80 HCAR3 (0.43) MAPTGCKHCAR3ALDH1A1HTT
SCHEMBL13876610 0.80 MAPT (0.55) MAPTVCAM1ALDH1A1HTTSMN1; SMN2
SCHEMBL404515 0.79 ALDH1A1 (0.48) MAPTVCAM1ALDH1A1HTTSMN1; SMN2
SCHEMBL2655558 0.77 CYP1A2 (0.41) GCKALDH1A1CYP1A2ABL1
SCHEMBL12777477 0.77 CTRC (0.39) MAPTVCAM1ALDH1A1HTTSMN1; SMN2
SCHEMBL9072647 0.76 MAPT (0.60) MAPTVCAM1ALDH1A1SMN1; SMN2
SCHEMBL1336246 0.75 MAPT (0.37) MAPTVCAM1ALDH1A1HTTSMN1; SMN2
SCHEMBL11475898 0.74 MERTK (0.48) MAPTVCAM1ALDH1A1HTTGRIA1
SCHEMBL28017803 0.73 MAPT (0.53) MAPTVCAM1ALDH1A1HTTGRIA1

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 5 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

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 3294/4885GCK 1/4885HCAR3 1883/4885

“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.