SCHEMBL5005533

SCHEMBL5005533

CN(c1ccc2c(c1)nc(C(C)(C)C)n2Cc1ccccn1)S(=O)(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.45
F2 P00734 1/20 0.43
KCNH2 Q12809 1/20 0.42
KMT2A Q03164 3/20 0.41
GAA P10253 1/20 0.39
CNR1 P21554 2/20 0.39
PTGDR2 Q9Y5Y4 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
SCHEMBL4967696 0.87 F2 (0.48) CNR2F2KCNH2CNR1PTGDR2
SCHEMBL4965783 0.85 F2 (0.46) CNR2F2KCNH2CNR1
SCHEMBL4966204 0.80 CNR2 (0.71) CNR2KCNH2CNR1
SCHEMBL4968385 0.80 CNR2 (0.68) CNR2KCNH2CNR1
SCHEMBL4966127 0.79 CNR2 (0.72) CNR2KCNH2CNR1
SCHEMBL4966137 0.77 CNR2 (0.68) CNR2KCNH2CNR1
SCHEMBL4966450 0.77 CNR2 (0.62) CNR2F2KCNH2CNR1
SCHEMBL4966435 0.76 CNR2 (0.62) CNR2KCNH2CNR1
SCHEMBL14074475 0.75 CNR2 (0.64) CNR2KCNH2CNR1
SCHEMBL4966183 0.75 CNR2 (0.64) CNR2KCNH2CNR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221178-A1 Benzimidazole Derivatives,Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2008-09-11 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-20080221178-A1 Benzimidazole Derivatives,Compositions Containing Them, Preparation Thereof and Uses Thereof TBXA2R, CYP2C19, CYP3A43 CNR2 292/4885F2 1296/4885KCNH2 324/4885

“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.