SCHEMBL3104476

SCHEMBL3104476

Nc1nc2ccc(OCc3c(Cl)cccc3Cl)cc2s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.67
CYP3A4 P08684 6/20 0.66
TP53 P04637 3/20 0.60
HSD17B10 Q99714 2/20 0.60
ALDH1A1 P00352 1/20 0.60
TSHR P16473 1/20 0.60
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 1/20 0.54
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
MAPT P10636 2/20 0.53
HTT P42858 2/20 0.53
KCNH2 Q12809 1/20 0.52
GAA P10253 2/20 0.50
GMNN O75496 1/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL3104361 0.92 CYP2D6 (0.61) CYP2D6CYP3A4TP53HSD17B10ALDH1A1
SCHEMBL3101625 0.84 CYP3A4 (0.66) CYP2D6CYP3A4TP53HSD17B10ALDH1A1
SCHEMBL11414056 0.80 CYP3A4 (1.00) CYP2D6CYP3A4TP53HSD17B10ALDH1A1
SCHEMBL3104412 0.79 CYP2D6 (0.43) CYP2D6CYP3A4TP53HSD17B10ALDH1A1
SCHEMBL21186279 0.78 CYP2D6 (0.62) CYP2D6CYP3A4TP53HSD17B10ALDH1A1
SCHEMBL3655027 0.77 CSNK1D (0.57) TP53HSD17B10ALDH1A1TSHRRAB9A
SCHEMBL3093465 0.77 NR1H4 (0.51) CYP2D6CYP3A4TP53ALDH1A1RAB9A
SCHEMBL9374886 0.76 CYP3A4 (0.70) CYP2D6CYP3A4TP53HSD17B10ALDH1A1
SCHEMBL28364480 0.76 CYP3A4 (0.81) CYP2D6CYP3A4TP53HSD17B10ALDH1A1
SCHEMBL233589 0.76 CYP3A4 (1.00) CYP2D6CYP3A4TP53HSD17B10ALDH1A1

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 CYP2D6 23/4885CYP3A4 324/4885TP53 1804/4885

“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.