SCHEMBL3105250

SCHEMBL3105250

CCC(Oc1ccc([N+](=O)[O-])cc1)c1c(Cl)cccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.46
PTPN12 Q05209 1/20 0.46
PTPN22 Q9Y2R2 1/20 0.46
ALDH1A1 P00352 5/20 0.40
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
PTGS2 P35354 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 2/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR2A P28223 1/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL3099089 0.78 TDP1 (0.39) ALDH1A1MAPK1CYP3A4TSHRHTR2A
SCHEMBL3101881 0.75 PTPN7 (0.43) PTPN7PTPN12PTPN22ALDH1A1CA1
SCHEMBL6377945 0.72 HTR2A (0.49) ALDH1A1BCL9CTNNB1CA1CA2
SCHEMBL6377951 0.72 HTR2A (0.49) ALDH1A1BCL9CTNNB1CA1CA2
SCHEMBL10876891 0.72 CYP19A1 (0.46) ALDH1A1BCL9CTNNB1CA1CA2
SCHEMBL28853177 0.72 BCL9 (0.49) ALDH1A1BCL9CTNNB1CA1CA2
SCHEMBL3099647 0.71 LMNA (0.44) ALDH1A1CA1CA2LMNAMAPK1
SCHEMBL30579722 0.71 BCL9 (0.51) ALDH1A1BCL9CTNNB1CA1CA2
SCHEMBL27508148 0.71 CA1 (0.47) ALDH1A1BCL9CTNNB1CA1CA2
SCHEMBL28750077 0.70 MGLL (0.51) ALDH1A1BCL9CTNNB1CA1CA2

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 2 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

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 PTPN7 531/4885PTPN12 868/4885PTPN22 786/4885

“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.