SCHEMBL5043014

SCHEMBL5043014

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 10/20 0.39
ENPP1 P22413 9/20 0.39
ENPP2 Q13822 5/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
MET P08581 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
CDK9 P50750 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37

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
SCHEMBL5033450 0.89 MAPT (0.41) ENPP3ENPP1ENPP2NPC1RAB9A
SCHEMBL5041011 0.88 NPC1 (0.50) ENPP3ENPP1ENPP2NPC1RAB9A
SCHEMBL5043032 0.88 SPHK2 (0.46) ENPP3ENPP1ENPP2NPC1RAB9A
SCHEMBL5036213 0.88 ALDH1A1 (0.40) ENPP3ENPP1ENPP2NPC1RAB9A
SCHEMBL7138529 0.87 ENPP3 (0.39) ENPP3ENPP1ENPP2NPC1RAB9A
SCHEMBL5042974 0.87 NPC1 (0.52) ENPP3ENPP1ENPP2NPC1RAB9A
SCHEMBL5033985 0.87 MET (0.43) ENPP3ENPP1ENPP2NPC1RAB9A
SCHEMBL5037959 0.87 SPHK2 (0.49) ENPP3ENPP1ENPP2NPC1RAB9A
SCHEMBL7046162 0.87 NPC1 (0.37) NPC1RAB9AMAPTHTT
SCHEMBL5033481 0.86 MAPT (0.39) ENPP3ENPP1ENPP2NPC1RAB9A

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
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-1298125-A1 Substituted benzimidazole compounds and their use for the treatment of cancer Aventis Pharma S.A. (FR) 2003-04-02 EP 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 3915/4885ENPP2 2109/4885

“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.