SCHEMBL5036355

SCHEMBL5036355

O=C(NCc1ccccc1)Nc1nc2cc(OS(=O)(=O)c3ccc(NC4CCCC4)cc3)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
NAMPT P43490 8/20 0.41
CA2 P00918 1/20 0.41
GSK3B P49841 4/20 0.41
ENPP3 O14638 3/20 0.40
ENPP1 P22413 3/20 0.40
MET P08581 1/20 0.40
CDK9 P50750 1/20 0.40
GSK3A P49840 1/20 0.40
ENPP2 Q13822 2/20 0.40

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
SCHEMBL5043133 0.93 NAMPT (0.50) NAMPT
SCHEMBL5037930 0.92 NAMPT (0.46) NPC1RAB9AROCK2NAMPTENPP3
SCHEMBL5033549 0.92 NAMPT (0.52) NAMPT
SCHEMBL5033517 0.90 NPC1 (0.40) NPC1RAB9AGSK3BENPP3ENPP1
SCHEMBL5035957 0.89 ENPP3 (0.46) NPC1RAB9AENPP3ENPP1ENPP2
SCHEMBL5042907 0.89 ACR (0.48) NPC1RAB9ANAMPTGSK3BENPP3
SCHEMBL5033564 0.89 MET (0.40) NPC1RAB9AROCK2ROCK1NAMPT
SCHEMBL5040730 0.89 CA12 (0.45) NPC1RAB9ACA2GSK3BMET
SCHEMBL6018029 0.89 ALDH1A1 (0.48) NPC1RAB9AROCK2ROCK1ENPP3
SCHEMBL5043028 0.89 MET (0.44) NPC1RAB9AGSK3BENPP3ENPP1

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 7 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 claimed
US-20050014811-A1 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2005-01-20 US claimed
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 3264/4885ROCK2 4066/4885

“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.