SCHEMBL2180202

SCHEMBL2180202

COCCCOc1cc(/C=C/c2ccccc2[N+](=O)[O-])cc(C(=O)Nc2nccs2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCK P35557 9/20 0.55
ALDH1A1 P00352 1/20 0.49
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP19A1 P11511 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
KMT2A Q03164 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KCNH2 Q12809 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL2180204 0.89 GCK (0.70) GCKKCNH2
SCHEMBL2175872 0.89 GCK (0.55) GCKALDH1A1POLBMAPTTDP1
SCHEMBL2175869 0.89 GCK (0.55) GCKALDH1A1POLBMAPTTDP1
SCHEMBL2175767 0.88 GCK (0.54) GCKALDH1A1POLBMAPTTDP1
SCHEMBL2179757 0.87 GCK (0.53) GCKALDH1A1MAPTNPC1RAB9A
SCHEMBL2178336 0.86 GCK (0.53) GCKALDH1A1MAPTTDP1NPC1
SCHEMBL2178566 0.86 NPC1 (0.56) GCKALDH1A1POLBMAPTTDP1
SCHEMBL2177353 0.85 GCK (0.55) GCKALDH1A1CYP19A1RAB9AMEN1
SCHEMBL2176342 0.83 NPC1 (0.48) GCKALDH1A1MAPTNPC1RAB9A
SCHEMBL2178758 0.83 SMN1; SMN2 (0.53) GCKALDH1A1MAPTTDP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-07-12 US claimed
WO-2011081280-A2 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2011-07-07 WO claimed
US-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-07-12 US disclosed
WO-2011081280-A2 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2011-07-07 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-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF GCK, GCKR, HK1 GCK 1/4885ALDH1A1 998/4885POLB 2597/4885

“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.