SCHEMBL3097640

SCHEMBL3097640

CCC(Oc1ccc2nc(N)sc2c1)c1c(Cl)cccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.54
TP53 P04637 3/20 0.54
HSD17B10 Q99714 2/20 0.54
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
CYP1A2 P05177 3/20 0.51
CYP2C19 P33261 1/20 0.51
CYP2D6 P10635 1/20 0.49
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.48
SCN4A P35499 2/20 0.45
GMNN O75496 1/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
GAA P10253 1/20 0.45
CYP2C9 P11712 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
SCHEMBL3102102 0.84 CYP3A4 (0.55) CYP3A4TP53HSD17B10ALDH1A1TSHR
SCHEMBL3649240 0.81 CSNK1D (0.53) TP53ALDH1A1TSHRRAB9ANPC1
SCHEMBL3099743 0.80 RAB9A (0.55) CYP3A4TP53HSD17B10ALDH1A1TSHR
SCHEMBL3099179 0.80 MAPT (0.43) TP53ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL3099171 0.77 DYRK1A (0.42) TP53ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL3109645 0.76 CYP3A4 (0.53) CYP3A4TP53HSD17B10ALDH1A1TSHR
SCHEMBL3104476 0.74 CYP2D6 (0.67) CYP3A4TP53HSD17B10ALDH1A1TSHR
SCHEMBL3099089 0.74 TDP1 (0.39) CYP3A4ALDH1A1TSHRRAB9ANPC1
SCHEMBL30944282 0.74 CYP3A4 (0.69) CYP3A4TP53HSD17B10ALDH1A1TSHR
SCHEMBL3094263 0.73 MET (0.60) CYP3A4CYP1A2CYP2C19CYP2D6

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-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
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 CYP3A4 324/4885TP53 1804/4885HSD17B10 4257/4885

“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.