SCHEMBL2176809

SCHEMBL2176809

CC(C)COc1cc(Br)cc(C(=O)Nc2nccs2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.56
NPC1 O15118 6/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
HPGD P15428 2/20 0.56
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
GCK P35557 8/20 0.52
BRD4 O60885 1/20 0.51
MAPT P10636 1/20 0.51
ADORA2A P29274 2/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
KCNH2 Q12809 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPK1 P28482 1/20 0.47

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
SCHEMBL2664728 0.92 GCK (0.60) RAB9ANPC1SMN1; SMN2HPGDGCK
SCHEMBL2176466 0.87 SMN1; SMN2 (0.52) RAB9ANPC1SMN1; SMN2HPGDMEN1
SCHEMBL2664748 0.86 GCK (0.64) RAB9ANPC1SMN1; SMN2HPGDGCK
SCHEMBL2176835 0.85 GCK (0.55) RAB9ANPC1SMN1; SMN2HPGDMEN1
SCHEMBL2664747 0.80 RAB9A (0.77) RAB9ANPC1SMN1; SMN2HPGDMEN1
SCHEMBL1492953 0.80 RAB9A (0.53) RAB9ANPC1SMN1; SMN2HPGDMEN1
SCHEMBL2664719 0.79 RAB9A (0.51) RAB9ANPC1SMN1; SMN2HPGDMEN1
SCHEMBL2176457 0.79 NPC1 (0.54) RAB9ANPC1SMN1; SMN2HPGDMEN1
SCHEMBL2176452 0.79 NPC1 (0.54) RAB9ANPC1SMN1; SMN2HPGDMEN1
SCHEMBL2664720 0.79 GCK (0.53) RAB9ANPC1SMN1; SMN2HPGDMEN1

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 2 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 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.