SCHEMBL3102102

SCHEMBL3102102

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 1/20 0.55
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
TP53 P04637 3/20 0.51
HSD17B10 Q99714 2/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.51
CYP2D6 P10635 1/20 0.49
SCN4A P35499 2/20 0.48
LMNA P02545 2/20 0.48
GMNN O75496 1/20 0.48
USP2 O75604 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
GAA P10253 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL3109645 0.89 CYP3A4 (0.53) CYP3A4CYP1A2CYP2C19RAB9ANPC1
SCHEMBL3099104 0.85 CYP3A4 (0.55) CYP3A4CYP1A2CYP2C19RAB9ANPC1
SCHEMBL3094263 0.85 MET (0.60) CYP3A4CYP1A2CYP2C19CYP2D6MET
SCHEMBL3097640 0.84 CYP3A4 (0.54) CYP3A4CYP1A2CYP2C19RAB9ANPC1
SCHEMBL3099743 0.83 RAB9A (0.55) CYP3A4CYP1A2CYP2C19RAB9ANPC1
SCHEMBL3112523 0.82 CYP3A4 (0.49) CYP3A4CYP1A2CYP2C19RAB9ANPC1
SCHEMBL3104578 0.82 MET (0.49) CYP3A4CYP1A2CYP2C19RAB9ANPC1
SCHEMBL3102178 0.81 CYP3A4 (0.56) CYP3A4CYP1A2CYP2C19RAB9ANPC1
SCHEMBL3094302 0.81 RAB9A (0.62) CYP3A4CYP1A2CYP2C19RAB9ANPC1
SCHEMBL3106561 0.80 MET (0.41) CYP3A4CYP1A2CYP2C19RAB9ANPC1

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 324/4885CYP1A2 935/4885CYP2C19 182/4885

“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.