SCHEMBL2176330

SCHEMBL2176330

COCCCOc1cc(CCc2cccc(NC(=O)Cc3ccccc3)c2)cc(C(=O)Nc2nccs2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
SCN3A Q9NY46 1/20 0.44
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GCK P35557 1/20 0.43
MAPK1 P28482 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
SIRT3 Q9NTG7 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
SCHEMBL2178415 0.93 SCN3A (0.49) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL2178641 0.93 KCNK3 (0.58) KCNK3KCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL2179516 0.92 KCNK3 (0.50) KCNK3KCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL2177930 0.91 MEN1 (0.48) KCNK3KCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL2178007 0.90 ADORA2A (0.54) KCNK3KCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL2178241 0.90 RAB9A (0.49) KCNK3KCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL2179567 0.89 ADORA2A (0.55) KCNK3KCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL2176334 0.89 GCK (0.56) KCNK3KCNK9NPSR1GCK
SCHEMBL2177651 0.87 NPC1 (0.47) KCNK3KCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL2180616 0.87 KDM4E (0.51) KCNK3KCNK9NPC1RAB9ASMN1; SMN2

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 KCNK3 409/4885KCNK9 507/4885NPC1 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.