SCHEMBL2176766

SCHEMBL2176766

COCCCOc1cc(CCc2cccc(N)c2)cc(C(=O)Nc2nccs2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
NPC1 O15118 4/20 0.51
HPGD P15428 1/20 0.51
GCK P35557 7/20 0.47
LMNA P02545 3/20 0.46
RECQL P46063 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
BRD4 O60885 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
KCNH2 Q12809 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL2177500 0.99 SMN1; SMN2 (0.50) RAB9ASMN1; SMN2NPC1HPGDGCK
SCHEMBL2179784 0.90 SMN1; SMN2 (0.54) RAB9ASMN1; SMN2NPC1HPGDGCK
Hydrochloric Acid SCHEMBL2178612 0.89 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2NPC1HPGDGCK
SCHEMBL2176768 0.88 GCK (0.61) RAB9ASMN1; SMN2NPC1HPGDGCK
SCHEMBL2178241 0.88 RAB9A (0.49) RAB9ASMN1; SMN2NPC1HPGDGCK
Hydrochloric Acid SCHEMBL2177505 0.87 GCK (0.60) RAB9ASMN1; SMN2NPC1HPGDGCK
SCHEMBL2178641 0.87 KCNK3 (0.58) RAB9ASMN1; SMN2NPC1HPGDGCK
SCHEMBL2180022 0.86 RAB9A (0.48) RAB9ASMN1; SMN2NPC1HPGDGCK
SCHEMBL2179516 0.86 KCNK3 (0.50) RAB9ASMN1; SMN2NPC1HPGDGCK
Hydrochloric Acid SCHEMBL2178390 0.86 RAB9A (0.47) RAB9ASMN1; SMN2NPC1HPGDGCK

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 RAB9A 3743/4885SMN1; SMN2 4303/4885NPC1 3351/4885

“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.