SCHEMBL2178241

SCHEMBL2178241

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 1/20 0.49
AGER Q15109 1/20 0.49
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.46
RECQL P46063 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GCK P35557 6/20 0.45
HSD17B10 Q99714 1/20 0.43
BRD4 O60885 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KCNH2 Q12809 1/20 0.42

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
SCHEMBL2178641 0.92 KCNK3 (0.58) RAB9ANPC1SMN1; SMN2HPGDKCNK3
SCHEMBL2179516 0.91 KCNK3 (0.50) RAB9ANPC1SMN1; SMN2HPGDKCNK3
SCHEMBL2176230 0.90 AGER (0.57) RAB9ANPC1SMN1; SMN2HPGDAGER
SCHEMBL2176330 0.90 KCNK3 (0.48) RAB9ANPC1SMN1; SMN2HPGDKCNK3
SCHEMBL2178007 0.90 ADORA2A (0.54) RAB9ANPC1SMN1; SMN2HPGDKCNK3
SCHEMBL2178466 0.90 KCNK3 (0.48) RAB9ANPC1SMN1; SMN2HPGDKCNK3
SCHEMBL2180616 0.90 KDM4E (0.51) RAB9ANPC1SMN1; SMN2HPGDKCNK3
SCHEMBL2179567 0.89 ADORA2A (0.55) RAB9ANPC1SMN1; SMN2HPGDKCNK3
SCHEMBL2177651 0.88 NPC1 (0.47) RAB9ANPC1SMN1; SMN2HPGDKCNK3
SCHEMBL2178245 0.88 GCK (0.59) RAB9ANPC1SMN1; SMN2HPGDAGER

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

“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.