SCHEMBL5040906

SCHEMBL5040906

O=C(Nc1nc2cc(OS(=O)(=O)c3ccc(-n4ccnc4)cc3)ccc2[nH]1)NC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MMP1 P03956 4/20 0.41
CD38 P28907 6/20 0.39
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NOS2 P35228 1/20 0.37
PDPK1 O15530 1/20 0.37
EPHX1 P07099 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ESR1 P03372 1/20 0.35
CYP19A1 P11511 1/20 0.35
ESR2 Q92731 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
SCHEMBL5036523 0.99 NPC1 (0.48) NPC1RAB9AMMP1CD38MAPT
SCHEMBL5037996 0.98 NPC1 (0.44) NPC1RAB9AMMP1CD38MAPT
SCHEMBL5043085 0.97 NPC1 (0.41) NPC1RAB9AMMP1CD38ESR1
SCHEMBL5033770 0.94 CD38 (0.41) NPC1RAB9AMMP1CD38
SCHEMBL7046162 0.89 NPC1 (0.37) NPC1RAB9AMMP1CD38MAPT
SCHEMBL5037717 0.88 ENPP3 (0.45) NPC1RAB9AMMP1
SCHEMBL7044404 0.88 ROCK2 (0.37) NPC1RAB9AMMP1CD38MAPT
SCHEMBL7176912 0.88 MAPT (0.39) NPC1RAB9AMMP1MAPTHTT
SCHEMBL7049236 0.88 MMP1 (0.38) NPC1RAB9AMMP1MAPTHTT
SCHEMBL7046318 0.87 RAB9A (0.39) NPC1RAB9ANOS2PDPK1CA12

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 3264/4885MMP1 4550/4885

“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.