SCHEMBL3094302

SCHEMBL3094302

CC(Oc1ccc2nc(N)sc2c1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.62
NPC1 O15118 6/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
TP53 P04637 3/20 0.62
MAPT P10636 2/20 0.62
HTT P42858 1/20 0.62
CYP3A4 P08684 5/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C19 P33261 1/20 0.58
SCN4A P35499 2/20 0.55
HSD17B10 Q99714 2/20 0.55
ALDH1A1 P00352 2/20 0.55
TSHR P16473 1/20 0.55
PIK3CA P42336 3/20 0.51
PI4KA P42356 3/20 0.51
PI4KB Q9UBF8 3/20 0.51
LMNA P02545 2/20 0.51
GMNN O75496 1/20 0.51
USP2 O75604 1/20 0.51
ADORA3 P0DMS8 1/20 0.51

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
SCHEMBL3102178 0.84 CYP3A4 (0.56) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL3099739 0.84 CYP3A4 (0.56) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL30944282 0.83 CYP3A4 (0.69) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL3099104 0.81 CYP3A4 (0.55) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL3102102 0.81 CYP3A4 (0.55) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL9722833 0.80 CYP3A4 (0.65) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL3106836 0.79 RAB9A (0.53) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL3651863 0.79 CSNK1D (0.60) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL3109645 0.77 CYP3A4 (0.53) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL3107120 0.77 CYP3A4 (0.53) RAB9ANPC1SMN1; SMN2TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188078-B2 6-aryl/heteroalkyloxy benzothiazole and benzimidazole derivatives, method for preparing same, application thereof as drugs, pharmaceutical compositions and novel use in particular as C-MET inhibitors SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-20100273793-A1 6-ARYL/HETEROALKYLOXY BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, APPLICATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE IN PARTICULAR AS c-MET INHIBITORS SANOFI-AVENTIS (FR) 2010-10-28 US disclosed
CN-101827827-A Derivatives of 6-aryl/heteroalkoxybenzothiazoles and benzimidazoles, method for preparing same, use thereof as medicaments, pharmaceutical compositions and novel use thereof, in particular as CMET inhibitors SANOFI AVENTIS 2010-09-08 CN disclosed
EP-2205568-A1 6-ARYL/HETEROALKYLOXY BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, APPLICATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE IN PARTICULAR AS C-MET INHIBITORS Sanofi-Aventis (FR) 2010-07-14 EP disclosed
WO-2009087305-A1 6-ARYL/HETEROALKYLOXY BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, APPLICATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE IN PARTICULAR AS C-MET INHIBITORS SANOFI-AVENTIS (FR) 2009-07-16 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-20100273793-A1 6-ARYL/HETEROALKYLOXY BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, APPLICATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE IN PARTICULAR AS c-MET INHIBITORS MET, ALK, JAK2 RAB9A 2116/4885NPC1 1581/4885SMN1; SMN2 4485/4885

“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.