SCHEMBL6017713

SCHEMBL6017713

Nc1nc2cc(OS(=O)(=O)c3ccc(-n4ccnc4)cc3)ccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CHRNA7 P36544 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 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
SCHEMBL5036451 0.81 PDE10A (0.37) CA1CA2CA9CYP11B1CYP11B2
SCHEMBL7139346 0.80 CA1 (0.40) CA1CA2CA9CHRNA7
SCHEMBL6017728 0.80 RAB9A (0.39) CA1CA2CA9LMNAMAPT
SCHEMBL5042939 0.79 RAB9A (0.45) LMNAMAPTMAOB
SCHEMBL5036014 0.79 MMP1 (0.40) LMNAMAPT
SCHEMBL5140451 0.79 MET (0.39) CA1CA2CA9LMNAMAPT
SCHEMBL5140452 0.79 MAPT (0.35) CA1CA2CA9MAPTMAOA
SCHEMBL10655336 0.79 CA12 (0.42) CA2LMNA
SCHEMBL5035937 0.78 MET (0.43) CA1CA2CA9LMNAMAPT
SCHEMBL5040954 0.78 MAPT (0.38) LMNAMAPTCYP11B1CYP11B2

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-7041668-B2 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2006-05-09 US disclosed
US-20050014811-A1 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2005-01-20 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-20050014811-A1 Substituted benzimidazole compounds and their use for the treatment of cancer CDKL3, CCNL2, CDKL1 CA1 3045/4885CA2 921/4885CA9 774/4885

“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.