SCHEMBL5036307

SCHEMBL5036307

NC(=O)[C@@H]1CCCN1C(=O)Nc1nc2cc(OS(=O)(=O)c3ccc(NC4CCCC4)cc3)ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.39
PIK3CD O00329 5/20 0.39
PIK3CG P48736 3/20 0.39
MTOR P42345 4/20 0.37
PIK3CB P42338 3/20 0.37
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.35
ENPP3 O14638 6/20 0.35
ENPP1 P22413 5/20 0.35
ENPP2 Q13822 4/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL5036020 0.93 THRB (0.40) MAPTHTTTP53ENPP3ENPP1
SCHEMBL5036619 0.92 GAA (0.39) MAPTHTTTP53ENPP3ENPP1
SCHEMBL5041021 0.86 MAPT (0.40) MAPTHTTENPP3ENPP1ENPP2
SCHEMBL5040690 0.85 MMP1 (0.41) PIK3CAPIK3CDPIK3CGMTORPIK3CB
SCHEMBL5042870 0.83 ENPP3 (0.48) ENPP3ENPP1ENPP2NPC1RAB9A
SCHEMBL5036480 0.83 NPC1 (0.53) MAPTHTTENPP3ENPP1ENPP2
SCHEMBL5033714 0.82 NPC1 (0.54) MAPTHTTENPP3ENPP1ENPP2
SCHEMBL5037777 0.82 ENPP3 (0.52) ENPP3ENPP1ENPP2NPC1RAB9A
SCHEMBL5041053 0.82 NPC1 (0.52) MAPTHTTENPP3ENPP1ENPP2
SCHEMBL5037862 0.82 NPC1 (0.52) MAPTHTTENPP3ENPP1ENPP2

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 5 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
EP-1432417-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER Aventis Pharma S.A. (FR) 2004-06-30 EP disclosed
WO-2003028721-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER AVENTIS PHARMA S.A. (FR) 2003-04-10 WO 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 PIK3CA 577/4885PIK3CD 772/4885PIK3CG 1195/4885

“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.