SCHEMBL2177119

SCHEMBL2177119

COCCCOc1cc(/C=C/c2cccc([N+](=O)[O-])c2)cc(C(=O)Nc2ncc(F)s2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCK P35557 10/20 0.55
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
THRB P10828 1/20 0.46
MAPK9 P45984 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALOX5 P09917 1/20 0.44
ALDH1A1 P00352 1/20 0.41
LMNA P02545 2/20 0.41
SNCA P37840 1/20 0.41
G6PD P11413 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
NFE2L2 Q16236 1/20 0.40

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
SCHEMBL2179744 0.91 GCK (0.53) GCKMEN1KMT2ARAB9AMAPT
SCHEMBL2177122 0.89 GCK (0.70) GCK
SCHEMBL2177353 0.88 GCK (0.55) GCKMEN1KMT2ARAB9AALDH1A1
SCHEMBL2175767 0.85 GCK (0.54) GCKMEN1KMT2ARAB9AMAPT
SCHEMBL2179279 0.84 GCK (0.52) GCKALOX5
SCHEMBL2178117 0.84 GCK (0.47) GCKMEN1KMT2AALDH1A1
SCHEMBL2177441 0.83 GCK (0.45) GCK
SCHEMBL2179144 0.83 GCK (0.48) GCK
SCHEMBL2178079 0.82 GCK (0.55) GCK
SCHEMBL2181182 0.82 GCK (0.43) GCK

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 1/4885MEN1 4297/4885KMT2A 2309/4885

“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.