SCHEMBL2178114

SCHEMBL2178114

COc1ccc(C=Cc2cc(OCC(C)C)cc(C(=O)Nc3nccs3)c2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.58
RAB9A P51151 4/20 0.58
MAPK1 P28482 3/20 0.58
BRD4 O60885 1/20 0.51
MAPT P10636 1/20 0.51
LMNA P02545 1/20 0.48
NPC1 O15118 3/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
GCK P35557 8/20 0.47
KCNH2 Q12809 1/20 0.47
KCNMA1 Q12791 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44

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
SCHEMBL2178106 1.00 SMN1; SMN2 (0.58) SMN1; SMN2RAB9AMAPK1BRD4MAPT
SCHEMBL2176452 0.87 NPC1 (0.54) SMN1; SMN2RAB9ANPC1KMT2AHPGD
SCHEMBL2176457 0.87 NPC1 (0.54) SMN1; SMN2RAB9ANPC1KMT2AHPGD
SCHEMBL2176801 0.86 GCK (0.52) SMN1; SMN2RAB9ANPC1HPGDGCK
SCHEMBL2176805 0.86 GCK (0.52) SMN1; SMN2RAB9ANPC1HPGDGCK
SCHEMBL2176564 0.86 SMN1; SMN2 (0.52) SMN1; SMN2RAB9AMAPK1BRD4MAPT
SCHEMBL2176556 0.86 SMN1; SMN2 (0.52) SMN1; SMN2RAB9AMAPK1BRD4MAPT
SCHEMBL2180468 0.82 GCK (0.52) SMN1; SMN2RAB9ANPC1KMT2AHPGD
SCHEMBL2175613 0.82 GCK (0.53) SMN1; SMN2RAB9AMAPTNPC1KMT2A
SCHEMBL2175619 0.82 GCK (0.53) SMN1; SMN2RAB9AMAPTNPC1KMT2A

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 SMN1; SMN2 4303/4885RAB9A 3743/4885MAPK1 559/4885

“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.