SCHEMBL2175767

SCHEMBL2175767

COCCCOc1cc(/C=C/c2cccc([N+](=O)[O-])c2)cc(C(=O)Nc2nccs2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCK P35557 10/20 0.54
NPC1 O15118 3/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
KMT2A Q03164 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
HPGD P15428 1/20 0.47
KCNH2 Q12809 1/20 0.44
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALOX5 P09917 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
SCHEMBL2178566 0.91 NPC1 (0.56) GCKNPC1MAPTKDM4ELMNA
SCHEMBL2175773 0.89 GCK (0.70) GCKKCNH2
SCHEMBL2180202 0.88 GCK (0.55) GCKNPC1MAPTKDM4ELMNA
SCHEMBL2177478 0.86 SMN1; SMN2 (0.55) GCKNPC1MAPTLMNARAB9A
SCHEMBL2177119 0.85 GCK (0.55) GCKNPC1MAPTLMNARAB9A
SCHEMBL2175944 0.83 GCK (0.52) GCKNPC1MAPTLMNARAB9A
SCHEMBL2175779 0.82 GCK (0.52) GCKNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL2179757 0.81 GCK (0.53) GCKNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL2178594 0.81 GCK (0.80) GCK
SCHEMBL2178916 0.81 GCK (0.79) GCKLMNASMN1; SMN2ALDH1A1

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 1/4885NPC1 3351/4885MAPT 3236/4885

“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.