SCHEMBL5040737

SCHEMBL5040737

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 11/20 0.43
MET P08581 1/20 0.42
CDK9 P50750 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
DHODH Q02127 1/20 0.39
ENPP3 O14638 1/20 0.39
ENPP1 P22413 1/20 0.39
ENPP2 Q13822 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
SCHEMBL5034028 0.92 MET (0.45) ABL1METCDK9NPC1RAB9A
SCHEMBL5043028 0.92 MET (0.44) ABL1METCDK9NPC1RAB9A
SCHEMBL5037847 0.91 MET (0.42) ABL1METCDK9NPC1RAB9A
SCHEMBL5036693 0.91 MET (0.41) METCDK9NPC1RAB9AENPP3
SCHEMBL5033517 0.91 NPC1 (0.40) METCDK9NPC1RAB9AENPP3
SCHEMBL5033565 0.90 MET (0.55) ABL1METCDK9NPC1RAB9A
SCHEMBL5035986 0.90 NPC1 (0.39) METCDK9NPC1RAB9AENPP3
SCHEMBL5040930 0.90 MET (0.42) ABL1METCDK9NPC1RAB9A
SCHEMBL5036480 0.90 NPC1 (0.53) NPC1RAB9AENPP3ENPP1ENPP2
SCHEMBL5033985 0.90 MET (0.43) METCDK9NPC1RAB9AENPP3

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 ABL1 83/4885MET 294/4885CDK9 136/4885

“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.