SCHEMBL5037913

SCHEMBL5037913

Nc1ccc(OS(=O)(=O)c2ccc(OCc3ccccc3)cc2)cc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.58
▸ CA9 Q16790 4/20 0.58
▸ CA1 P00915 3/20 0.58
▸ CA2 P00918 3/20 0.58
▸ CA4 P22748 1/20 0.58
▸ CA5A P35218 1/20 0.58
▸ CA7 P43166 1/20 0.58
▸ CA5B Q9Y2D0 1/20 0.58
▸ GAA P10253 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ MAOA P21397 1/20 0.50
▸ MAOB P27338 1/20 0.50
▸ MAPK1 P28482 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ AR P10275 8/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46

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
SCHEMBL5036438 0.85 CA12 (0.51) CA12CA9CA1CA2CA4
SCHEMBL11841874 0.84 TDP1 (0.56) CA12CA9CA1CA2GAA
SCHEMBL30040891 0.81 MAOB (0.63) GAAL3MBTL1RAB9ASMN1; SMN2MAPT
SCHEMBL4473165 0.81 MAOB (0.63) GAAL3MBTL1RAB9ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL9124176 0.79 MAOB (0.61) GAAL3MBTL1RAB9ASMN1; SMN2MAPT
SCHEMBL4622036 0.78 MEN1 (0.54) CA12CA9CA1CA2CA4
SCHEMBL11844829 0.78 CA12 (0.56) CA12CA9CA1CA2CA7
SCHEMBL11848703 0.78 CA1 (0.56) CA12CA9CA1CA2CA7
SCHEMBL11082558 0.77 L3MBTL1 (0.47) CA2GAAL3MBTL1SMN1; SMN2MAPT
SCHEMBL11841583 0.77 GAA (0.47) CA12CA9CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432417-B1 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER AVENTIS PHARMA SA (FR) 2008-02-20 — — EP disclosed
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 CA12 1732/4885CA9 774/4885CA1 3045/4885

“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.

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