SCHEMBL3099743

SCHEMBL3099743

Nc1nc2ccc(OC(c3c(Cl)cccc3Cl)C(F)(F)F)cc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.55
CYP3A4 P08684 5/20 0.55
NPC1 O15118 4/20 0.55
TP53 P04637 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
SCN4A P35499 3/20 0.55
CYP1A2 P05177 2/20 0.55
HSD17B10 Q99714 2/20 0.55
LMNA P02545 2/20 0.55
GAA P10253 2/20 0.55
GMNN O75496 1/20 0.55
USP2 O75604 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CYP2C9 P11712 1/20 0.55
PKM P14618 1/20 0.55
ALOX15 P16050 1/20 0.55
NFKB1 P19838 1/20 0.55
SLC6A2 P23975 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55

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 0.83 CYP3A4 (0.55) RAB9ACYP3A4NPC1TP53SMN1; SMN2
SCHEMBL3648780 0.80 GHSR (0.51) RAB9ACYP3A4NPC1SMN1; SMN2CYP1A2
SCHEMBL3097640 0.80 CYP3A4 (0.54) RAB9ACYP3A4NPC1TP53SMN1; SMN2
SCHEMBL3093478 0.79 APP (0.41) RAB9ANPC1TP53SMN1; SMN2LMNA
SCHEMBL558343 0.75 RAB9A (0.68) RAB9ACYP3A4NPC1TP53SMN1; SMN2
SCHEMBL3104720 0.75 MAOB (0.35) CYP3A4SMN1; SMN2GAAMAPK1MAPT
SCHEMBL3109645 0.75 CYP3A4 (0.53) RAB9ACYP3A4NPC1TP53SMN1; SMN2
SCHEMBL3094263 0.74 MET (0.60) CYP3A4CYP1A2CYP2C19CYP2D6AXL
SCHEMBL3099104 0.73 CYP3A4 (0.55) RAB9ACYP3A4NPC1TP53SMN1; SMN2
SCHEMBL3104476 0.73 CYP2D6 (0.67) RAB9ACYP3A4NPC1TP53SMN1; SMN2

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 RAB9A 2116/4885CYP3A4 324/4885NPC1 1581/4885

“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.