SCHEMBL2645124

SCHEMBL2645124

CS(=O)(=O)Nc1ccc([N+](=O)[O-])nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
KEAP1 Q14145 1/20 0.40
PIN1 Q13526 1/20 0.40
MAPT P10636 4/20 0.40
CYP2C9 P11712 1/20 0.39
KIF11 P52732 1/20 0.39
MAPK1 P28482 2/20 0.38

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
SCHEMBL1477407 0.84 PGR (0.54) CA12CA1CA2CA9GAA
SCHEMBL31580426 0.79 ALDH1A1 (0.52) GAAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1097891 0.79 ALDH1A1 (0.52) GAAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11628998 0.75 MAPT (0.44) CA12CA1CA2CA9KMT2A
SCHEMBL14919183 0.75 MAPT (0.47) CA12CA1CA2CA9MEN1
SCHEMBL13548255 0.75 HPGD (0.46) CA12CA1CA2CA9GAA
SCHEMBL2645490 0.75 KDM4E (0.35) CA1CA2GAAMEN1KMT2A
SCHEMBL17055036 0.75 MEN1 (0.45) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL1098484 0.75 KCNH3 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL1099926 0.75 MAPT (0.56) GAAALDH1A1SMN1; SMN2MAPTRAB9A

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-1572670-B1 5-SUBSTITUTED-PYRAZINE OR -PYRIDINE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2007-08-22 EP disclosed
US-7132425-B2 5-substituted-six-membered heteroaromatic glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2006-11-07 US disclosed
EP-1572670-A1 5-SUBSTITUTED-PYRAZINE OR -PYRIDINE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-14 EP disclosed
US-20040147748-A1 5-Substituted-six-membered heteroaromatic glucokinase activators CHEN SHAOQING (US) 2004-07-29 US disclosed
WO-2004052869-A1 5-SUBSTITUTED-PYRAZINE OR PYRIDINE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-24 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-20040147748-A1 5-Substituted-six-membered heteroaromatic glucokinase activators GCK, GCKR, GALK1 CA12 3740/4885CA1 3562/4885CA2 1588/4885

“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.