SCHEMBL5033481

SCHEMBL5033481

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
ENPP3 O14638 2/20 0.37
ENPP1 P22413 2/20 0.37
ENPP2 Q13822 2/20 0.37
SMN1; SMN2 Q16637 2/20 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
SCHEMBL7048862 0.98 ALDH1A1 (0.38) MAPTSPHK2SPHK1NPC1RAB9A
SCHEMBL5036213 0.95 ALDH1A1 (0.40) MAPTNPC1RAB9AENPP3ENPP1
SCHEMBL5043032 0.92 SPHK2 (0.46) MAPTSPHK2SPHK1NPC1RAB9A
SCHEMBL5037959 0.91 SPHK2 (0.49) MAPTSPHK2SPHK1NPC1RAB9A
SCHEMBL5037677 0.90 MET (0.45) MAPTNPC1RAB9AENPP3ENPP1
SCHEMBL5033450 0.89 MAPT (0.41) MAPTNPC1RAB9AENPP3ENPP1
SCHEMBL7138529 0.89 ENPP3 (0.39) MAPTNPC1RAB9AENPP3ENPP1
SCHEMBL5037847 0.86 MET (0.42) MAPTNPC1RAB9AENPP3ENPP1
SCHEMBL5043014 0.86 ENPP3 (0.39) MAPTNPC1RAB9AENPP3ENPP1
SCHEMBL5041011 0.86 NPC1 (0.50) MAPTNPC1RAB9AENPP3ENPP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MAPT 4854/4885SPHK2 340/4885SPHK1 384/4885

“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.