SCHEMBL5043065

SCHEMBL5043065

COc1ccc(NC(=O)Nc2nc3cc(OS(=O)(=O)c4ccc(NC5CCCC5)cc4)ccc3[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
EPHX1 P07099 1/20 0.44
EPHX2 P34913 1/20 0.44
HTR6 P50406 2/20 0.42
ENPP3 O14638 5/20 0.41
ENPP1 P22413 5/20 0.41
ENPP2 Q13822 4/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
MET P08581 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
CDK9 P50750 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41

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
SCHEMBL5033699 0.93 NPC1 (0.46) NPC1RAB9AMAPTHTTALDH1A1
SCHEMBL5035957 0.92 ENPP3 (0.46) NPC1RAB9AENPP3ENPP1ENPP2
SCHEMBL5036539 0.92 ENPP3 (0.50) NPC1RAB9AEPHX1ENPP3ENPP1
SCHEMBL5033465 0.92 CNR1 (0.43) NPC1RAB9AEPHX1ENPP3ENPP1
SCHEMBL5042876 0.91 EPHX1 (0.42) NPC1RAB9AEPHX1ENPP3ENPP1
SCHEMBL7176912 0.91 MAPT (0.39) NPC1RAB9AEPHX1EPHX2HTR6
SCHEMBL5036480 0.90 NPC1 (0.53) NPC1RAB9AEPHX1EPHX2ENPP3
SCHEMBL5037539 0.89 NPC1 (0.41) NPC1RAB9AENPP3ENPP1ENPP2
SCHEMBL5042842 0.89 MAPT (0.42) NPC1RAB9AMAPTHTTALDH1A1
SCHEMBL5041053 0.89 NPC1 (0.52) NPC1RAB9AEPHX1EPHX2ENPP3

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
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

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 3264/4885EPHX1 3826/4885

“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.