SCHEMBL2645490

SCHEMBL2645490

CS(=O)(=O)Nc1cnc([N+](=O)[O-])cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PIN1 Q13526 1/20 0.35
CYP1A2 P05177 2/20 0.34
GAA P10253 1/20 0.34
CYP19A1 P11511 8/20 0.34
CASP6 P55212 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ABL1 P00519 1/20 0.32
MAPT P10636 3/20 0.31
MEN1 O00255 2/20 0.31
LMNA P02545 2/20 0.31
KMT2A Q03164 2/20 0.31
MLNR O43193 1/20 0.31
MMP1 P03956 1/20 0.31
MPO P05164 1/20 0.31
GLA P06280 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADORA3 P0DMS8 1/20 0.31

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
SCHEMBL2645124 0.75 CA12 (0.43) KDM4EALDH1A1PIN1GAACA1
SCHEMBL7356089 0.75 CYP1A2 (0.58) KDM4EALDH1A1CYP1A2GAAMAPT
SCHEMBL16935115 0.74 HCAR3 (0.40) ALDH1A1CYP1A2GAAMAPTMEN1
SCHEMBL13484185 0.72 EDNRA (0.46) KDM4EALDH1A1CYP1A2GAAABL1
SCHEMBL8892258 0.71 LMNA (0.45) KDM4EALDH1A1PIN1CYP1A2CYP19A1
SCHEMBL31274000 0.71 EDNRA (0.47) KDM4EALDH1A1ABL1MAPTPTGS1
SCHEMBL8892993 0.70 MEN1 (0.46) KDM4EALDH1A1CYP1A2CYP19A1MAPT
SCHEMBL2644572 0.68 LMNA (0.48) KDM4EALDH1A1CYP1A2MAPTMEN1
SCHEMBL2645558 0.68 ALDH1A1 (0.41) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL7698437 0.67 MAPT (0.41) ALDH1A1CYP1A2MAPTLMNACYP2C9

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 KDM4E 1653/4885ALDH1A1 568/4885PIN1 4426/4885

“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.