SCHEMBL3097755

SCHEMBL3097755

CC(Oc1ccc(N)c([N+](=O)[O-])c1)c1c(Cl)cccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
MAPT P10636 6/20 0.42
ALDH1A1 P00352 5/20 0.42
TDP1 Q9NUW8 3/20 0.42
POLB P06746 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
LMNA P02545 4/20 0.40
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTPN7 P35236 1/20 0.38
PTPN12 Q05209 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL3104388 0.84 MET (0.50)
SCHEMBL3102747 0.81 NR4A1 (0.41) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL3104527 0.79 JAK2 (0.42) TSHRCRHBPCRHR2MAPTALDH1A1
SCHEMBL3101964 0.79 MET (0.40) TSHRMAPTALDH1A1MEN1KMT2A
SCHEMBL15646534 0.79 TSHR (0.54) TSHRCRHBPCRHR2MAPTALDH1A1
SCHEMBL2471589 0.78 TSHR (0.53) TSHRCRHBPCRHR2MAPTALDH1A1
SCHEMBL13577142 0.78 MET (0.42) TSHRLMNASMN1; SMN2FGFR4
SCHEMBL1173707 0.76 TSHR (0.51) TSHRCRHBPCRHR2MAPTALDH1A1
SCHEMBL7244318 0.76 TSHR (0.51) TSHRCRHBPCRHR2MAPTALDH1A1
SCHEMBL11676347 0.74 MAPT (0.49) TSHRCRHBPCRHR2MAPTALDH1A1

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 TSHR 414/4885CRHBP 3264/4885CRHR2 2202/4885

“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.