SCHEMBL5035957

SCHEMBL5035957

O=C(Nc1ccccc1)Nc1nc2cc(OS(=O)(=O)c3ccc(NC4CCCC4)cc3)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 8/20 0.46
ENPP1 P22413 7/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ENPP2 Q13822 6/20 0.45
KDR P35968 1/20 0.44
TEK Q02763 1/20 0.44
MTOR P42345 2/20 0.41
ITGB3 P05106 3/20 0.40
ITGAV P06756 3/20 0.40
PDPK1 O15530 1/20 0.39

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
SCHEMBL5033465 0.92 CNR1 (0.43) ENPP3ENPP1NPC1RAB9AENPP2
SCHEMBL5043065 0.92 NPC1 (0.44) ENPP3ENPP1NPC1RAB9AENPP2
SCHEMBL5036539 0.92 ENPP3 (0.50) ENPP3ENPP1NPC1RAB9AENPP2
SCHEMBL5036145 0.91 KDR (0.47) NPC1RAB9AKDRTEKMTOR
SCHEMBL5036578 0.91 MTOR (0.52) ENPP3ENPP1NPC1RAB9AENPP2
SCHEMBL5036480 0.90 NPC1 (0.53) ENPP3ENPP1NPC1RAB9AENPP2
SCHEMBL5033699 0.90 NPC1 (0.46) NPC1RAB9AKDRTEK
SCHEMBL5042876 0.90 EPHX1 (0.42) ENPP3ENPP1NPC1RAB9AENPP2
SCHEMBL5040967 0.90 NPC1 (0.46) ENPP3ENPP1NPC1RAB9AENPP2
SCHEMBL5041053 0.90 NPC1 (0.52) ENPP3ENPP1NPC1RAB9AENPP2

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 ENPP3 2927/4885ENPP1 3915/4885NPC1 3782/4885

“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.