SCHEMBL5033517

SCHEMBL5033517

O=C(O)CNC(=O)Nc1nc2cc(OS(=O)(=O)c3ccc(NC4CCCC4)cc3)ccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MET P08581 1/20 0.40
CDK9 P50750 1/20 0.40
ENPP3 O14638 13/20 0.38
ENPP1 P22413 11/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
ENPP2 Q13822 10/20 0.38
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL5035986 0.93 NPC1 (0.39) NPC1RAB9AMETCDK9ENPP3
SCHEMBL5037847 0.92 MET (0.42) NPC1RAB9AMETCDK9ENPP3
SCHEMBL5040737 0.91 ABL1 (0.43) NPC1RAB9AMETCDK9ENPP3
SCHEMBL5043028 0.91 MET (0.44) NPC1RAB9AMETCDK9ENPP3
SCHEMBL5036355 0.90 NPC1 (0.42) NPC1RAB9AMETCDK9ENPP3
SCHEMBL5036480 0.89 NPC1 (0.53) NPC1RAB9AENPP3ENPP1ENPP2
SCHEMBL5036410 0.89 MET (0.46) NPC1RAB9AMETCDK9ENPP3
SCHEMBL5036693 0.89 MET (0.41) NPC1RAB9AMETCDK9ENPP3
SCHEMBL5035957 0.88 ENPP3 (0.46) NPC1RAB9AENPP3ENPP1ENPP2
SCHEMBL5033714 0.88 NPC1 (0.54) NPC1RAB9AENPP3ENPP1ENPP2

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 NPC1 3782/4885RAB9A 3264/4885MET 294/4885

“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.