SCHEMBL2289413

SCHEMBL2289413

COc1c(C)c[c]cc1Br

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.41
CA4 P22748 4/20 0.41
CA1 P00915 2/20 0.32
CA6 P23280 2/20 0.32
PTPN1 P18031 1/20 0.31
ACHE P22303 1/20 0.30

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
SCHEMBL231210 0.85 CA2 (0.48) CA2CA4CA1CA6PTPN1
SCHEMBL29760 0.83 ACHE (0.36) ACHE
SCHEMBL943918 0.77 CA2 (0.41) CA2CA4CA1CA6PTPN1
SCHEMBL2289380 0.76 CA2 (0.40) CA2CA4CA1CA6PTPN1
SCHEMBL2285289 0.76 CA2 (0.40) CA2CA4CA1CA6PTPN1
SCHEMBL20476840 0.76 TPMT (0.43) CA2CA4CA1CA6PTPN1
SCHEMBL4158740 0.74 ACHE (0.41) CA2CA4CA1ACHE
SCHEMBL5475365 0.73 TDP1 (0.39) CA2CA1PTPN1ACHE
SCHEMBL2284682 0.73 ACHE (0.30) ACHE
SCHEMBL2286065 0.73 KDM4E (0.31) ACHE

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-7989394-B2 Substituted 1-(azolin-2-yl)-amino-2-aryl-1-hetaryl-ethane compounds BASF SE (DE) 2011-08-02 US disclosed
US-20090131256-A1 Substituted 1-(azolin-2-yl)-amino-2-aryl-1-hetaryl-ethane Compounds BASF SE (DE) 2009-05-21 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-20090131256-A1 Substituted 1-(azolin-2-yl)-amino-2-aryl-1-hetaryl-ethane Compounds AAAS, AIPL1, ATXN2 CA2 1194/4885CA4 3404/4885CA1 3181/4885

“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.