SCHEMBL2654941

SCHEMBL2654941

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 2/20 0.39
GCK P35557 2/20 0.38
LMNA P02545 3/20 0.38
ABL1 P00519 2/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL1981547 0.82 ALDH1A1 (0.42) SMN1; SMN2MAPTALDH1A1HTTKMT2A
SCHEMBL30764819 0.82 MAPT (0.43) SMN1; SMN2MAPTALDH1A1HTTKMT2A
SCHEMBL21617088 0.82 MAPT (0.43) SMN1; SMN2MAPTALDH1A1HTTKMT2A
SCHEMBL2657748 0.80 MAPT (0.43) HCAR3SMN1; SMN2MAPTALDH1A1HTT
SCHEMBL30199709 0.78 ALDH1A1 (0.53) SMN1; SMN2MAPTALDH1A1HTTKMT2A
SCHEMBL228082 0.78 ALDH1A1 (0.53) SMN1; SMN2MAPTALDH1A1HTTKMT2A
SCHEMBL1981549 0.78 MAPT (0.51) SMN1; SMN2MAPTALDH1A1HTTKMT2A
SCHEMBL2986961 0.77 MAPT (0.48) SMN1; SMN2MAPTALDH1A1HTTKMT2A
SCHEMBL3542592 0.74 CYP2D6 (0.53) ALDH1A1KMT2AMEN1GCKLMNA
SCHEMBL3543501 0.74 CYP2D6 (0.53) ALDH1A1KMT2AMEN1GCKLMNA

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 HCAR3 1883/4885SMN1; SMN2 4119/4885MAPT 3294/4885

“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.