SCHEMBL2176262

SCHEMBL2176262

COCCCOc1cc(CBr)cc(C(=O)Nc2nccs2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.55
BRD4 O60885 1/20 0.55
MAPT P10636 1/20 0.55
RAB9A P51151 7/20 0.51
NPC1 O15118 5/20 0.51
MAPK1 P28482 1/20 0.51
HPGD P15428 1/20 0.51
GCK P35557 8/20 0.51
ALDH1A1 P00352 1/20 0.48
KCNH2 Q12809 1/20 0.47
LMNA P02545 1/20 0.47
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL2177746 0.90 GCK (0.54) SMN1; SMN2BRD4MAPTRAB9ANPC1
SCHEMBL2176268 0.85 GCK (0.70) SMN1; SMN2BRD4MAPTRAB9ANPC1
SCHEMBL2176466 0.85 SMN1; SMN2 (0.52) SMN1; SMN2BRD4MAPTRAB9ANPC1
SCHEMBL2179784 0.84 SMN1; SMN2 (0.54) SMN1; SMN2BRD4MAPTRAB9ANPC1
Hydrochloric Acid SCHEMBL2178612 0.83 SMN1; SMN2 (0.53) SMN1; SMN2BRD4MAPTRAB9ANPC1
SCHEMBL2176615 0.83 SMN1; SMN2 (0.51) SMN1; SMN2BRD4MAPTRAB9ANPC1
SCHEMBL2176230 0.82 AGER (0.57) SMN1; SMN2BRD4MAPTRAB9ANPC1
SCHEMBL2178409 0.82 GCK (0.49) SMN1; SMN2BRD4MAPTRAB9ANPC1
SCHEMBL2178805 0.81 GCK (0.51) SMN1; SMN2BRD4MAPTRAB9ANPC1
SCHEMBL2178536 0.81 RAB9A (0.51) SMN1; SMN2BRD4MAPTRAB9ANPC1

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 SMN1; SMN2 4303/4885BRD4 2256/4885MAPT 3236/4885

“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.