SCHEMBL5043094

SCHEMBL5043094

O=C(NCC1CCNCC1)Nc1nc2cc(OS(=O)(=O)c3ccc(NC4CCCC4)cc3)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
ABL1 P00519 2/20 0.39
MET P08581 1/20 0.38
CDK9 P50750 1/20 0.38
HTR6 P50406 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
EPHX1 P07099 1/20 0.36
FLT3 P36888 1/20 0.36
ROCK2 O75116 1/20 0.36
ENPP3 O14638 5/20 0.35
ENPP1 P22413 4/20 0.35
ENPP2 Q13822 4/20 0.35
HTR1A P08908 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL5040737 0.88 ABL1 (0.43) ABL1METCDK9NPC1RAB9A
SCHEMBL5043028 0.88 MET (0.44) GSK3AGSK3BABL1METCDK9
SCHEMBL5033517 0.87 NPC1 (0.40) GSK3AGSK3BMETCDK9NPC1
SCHEMBL5035986 0.86 NPC1 (0.39) GSK3AGSK3BMETCDK9NPC1
SCHEMBL5036480 0.86 NPC1 (0.53) NPC1RAB9AEPHX1FLT3ENPP3
SCHEMBL5036410 0.86 MET (0.46) GSK3AGSK3BABL1METCDK9
SCHEMBL5036693 0.86 MET (0.41) GSK3AGSK3BMETCDK9NPC1
SCHEMBL5037847 0.86 MET (0.42) GSK3AGSK3BABL1METCDK9
SCHEMBL5041053 0.85 NPC1 (0.52) NPC1RAB9AEPHX1ENPP3ENPP1
SCHEMBL5033714 0.85 NPC1 (0.54) NPC1RAB9AEPHX1FLT3ENPP3

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 GSK3A 3550/4885GSK3B 3006/4885ABL1 83/4885

“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.