SCHEMBL5033770

SCHEMBL5033770

O=C(Nc1nc2cc(OS(=O)(=O)c3ccc(-n4ccnc4)cc3)ccc2[nH]1)NC1CCC(O)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CD38 P28907 14/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MMP1 P03956 3/20 0.36
LIPG Q9Y5X9 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL5043085 0.97 NPC1 (0.41) CD38NPC1RAB9AMMP1LIPG
SCHEMBL5040906 0.94 NPC1 (0.46) CD38NPC1RAB9AMMP1
SCHEMBL5037996 0.94 NPC1 (0.44) CD38NPC1RAB9AMMP1
SCHEMBL5036523 0.93 NPC1 (0.48) CD38NPC1RAB9AMMP1
SCHEMBL7046162 0.85 NPC1 (0.37) CD38NPC1RAB9AMMP1LIPG
SCHEMBL5037979 0.83 NPC1 (0.43) NPC1RAB9AMMP1CYP2D6
SCHEMBL5037717 0.83 ENPP3 (0.45) NPC1RAB9AMMP1
SCHEMBL5036028 0.83 NPC1 (0.48) NPC1RAB9A
SCHEMBL5035937 0.83 MET (0.43) MMP1CYP2D6
SCHEMBL5040954 0.83 MAPT (0.38) MMP1CYP2D6

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 CD38 2389/4885NPC1 3782/4885RAB9A 3264/4885

“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.