SCHEMBL1581602

SCHEMBL1581602

Brc1ccc(SCc2cccnc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
DAO P14920 2/20 0.49
POLB P06746 2/20 0.48
LMNA P02545 2/20 0.48
PKM P14618 2/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAOB P27338 1/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
OPRK1 P41145 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GFER P55789 2/20 0.44
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL14594941 0.84 SMN1; SMN2 (0.52) SMN1; SMN2DAORAB9ANPC1L3MBTL1
SCHEMBL5654451 0.83 RAB9A (0.50) SMN1; SMN2DAOPOLBLMNARAB9A
SCHEMBL8362995 0.83 LMNA (0.62) SMN1; SMN2DAOPOLBLMNAPKM
SCHEMBL693670 0.79 DAO (0.49) SMN1; SMN2DAOPOLBLMNARAB9A
SCHEMBL1394757 0.78 MAOB (0.56) SMN1; SMN2DAOPOLBMAOBHPGD
SCHEMBL845713 0.77 MAOB (0.59) POLBL3MBTL1MAOBCYP1A2CYP2D6
SCHEMBL27527912 0.75 L3MBTL1 (0.45) SMN1; SMN2POLBPKMRAB9ANPC1
SCHEMBL3938204 0.75 DAO (0.51) SMN1; SMN2DAORAB9ANPC1MEN1
SCHEMBL1773262 0.74 TBXAS1 (0.56) MEN1KMT2ACYP1A2CYP2D6
SCHEMBL1018295 0.73 SMN1; SMN2 (0.59) SMN1; SMN2DAOPOLBLMNAPKM

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1585739-B1 SUBSTITUTED ARYLCYCLOPROPYLACETAMIDES AS GLUCOKINASE ACTIVATORS LILLY CO ELI (US) 2011-04-20 EP disclosed
US-7576108-B2 Substituted arylcyclopropylacetamides as glucokinase activators ELI LILLY AND COMPANY (US) 2009-08-18 US disclosed
US-20060111353-A1 Substituted arylcyclopropylacetamides as glucokinase activators ELI LILLY AND COMPANY 2006-05-25 US disclosed
EP-1585739-A1 SUBSTITUTED ARYLCYCLOPROPYLACETAMIDES AS GLUCOKINASE ACTIVATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2004063179-A1 SUBSTITUTED ARYLCYCLOPROPYLACETAMIDES AS GLUCOKINASE ACTIVATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed
WO-2003033467-A1 NITROSO DIPHENYLAMINE DERIVATIVES AS NITROGEN MONOXIDE GENERATING AGENTS MERCK PATENT GMBH (DE) 2003-04-24 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-20060111353-A1 Substituted arylcyclopropylacetamides as glucokinase activators GCK, GCKR, GALK1 SMN1; SMN2 4420/4885DAO 2028/4885POLB 3839/4885

“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.