SCHEMBL5040690

SCHEMBL5040690

NC(=O)C1CCCN1C(=O)Nc1nc2cc(OS(=O)(=O)c3ccc(-n4ccnc4)cc3)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.41
PIK3CA P42336 7/20 0.38
PIK3CD O00329 6/20 0.38
PIK3CG P48736 4/20 0.38
PORCN Q9H237 2/20 0.36
PIK3CB P42338 4/20 0.35
PI4KB Q9UBF8 1/20 0.35
NOS2 P35228 1/20 0.35
MTOR P42345 3/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL5037865 0.93 MMP1 (0.42) MMP1PORCNNOS2MAPTHTT
SCHEMBL6017720 0.92 MMP1 (0.41) MMP1PORCNNOS2MAPTHTT
SCHEMBL5036014 0.85 MMP1 (0.40) MMP1NOS2MAPTHTT
SCHEMBL5036307 0.85 PIK3CA (0.39) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL5037717 0.83 ENPP3 (0.45) MMP1
SCHEMBL5040906 0.82 NPC1 (0.46) MMP1NOS2MAPTHTT
SCHEMBL5037996 0.82 NPC1 (0.44) MMP1NOS2MAPTHTT
SCHEMBL5043085 0.82 NPC1 (0.41) MMP1
SCHEMBL5036523 0.82 NPC1 (0.48) MMP1NOS2MAPTHTT
SCHEMBL5037979 0.82 NPC1 (0.43) MMP1PORCNNOS2MAPTHTT

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 MMP1 4550/4885PIK3CA 577/4885PIK3CD 772/4885

“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.