SCHEMBL2179784

SCHEMBL2179784

COCCCOc1cc(CCc2ccc(N)cc2)cc(C(=O)Nc2nccs2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
RAB9A P51151 5/20 0.54
NPC1 O15118 3/20 0.54
LMNA P02545 2/20 0.54
RECQL P46063 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
GCK P35557 9/20 0.49
HPGD P15428 1/20 0.48
BRD4 O60885 1/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
KCNH2 Q12809 1/20 0.45
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL2178612 0.99 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ANPC1LMNARECQL
SCHEMBL2176766 0.90 RAB9A (0.51) SMN1; SMN2RAB9ANPC1LMNARECQL
Hydrochloric Acid SCHEMBL2177500 0.89 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1LMNARECQL
SCHEMBL2176230 0.89 AGER (0.57) SMN1; SMN2RAB9ANPC1GCKHPGD
SCHEMBL2178536 0.88 RAB9A (0.51) SMN1; SMN2RAB9ANPC1LMNAGCK
SCHEMBL2180022 0.87 RAB9A (0.48) SMN1; SMN2RAB9ANPC1GCKHPGD
SCHEMBL2177412 0.87 KCNK3 (0.53) SMN1; SMN2RAB9ANPC1GCKHPGD
SCHEMBL2179788 0.87 GCK (0.64) SMN1; SMN2RAB9ANPC1LMNARECQL
SCHEMBL2179714 0.86 AURKA (0.50) SMN1; SMN2RAB9ANPC1LMNAGCK
Hydrochloric Acid SCHEMBL2178615 0.86 GCK (0.63) SMN1; SMN2RAB9ANPC1LMNARECQL

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 3743/4885NPC1 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.