SCHEMBL5033699

SCHEMBL5033699

COc1cccc(NC(=O)Nc2nc3cc(OS(=O)(=O)c4ccc(NC5CCCC5)cc4)ccc3[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
NTRK1 P04629 1/20 0.42
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
MET P08581 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
CDK9 P50750 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42

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
SCHEMBL5043065 0.93 NPC1 (0.44) NPC1RAB9ALMNAMAPTALDH1A1
SCHEMBL5035957 0.90 ENPP3 (0.46) NPC1RAB9AKDRTEK
SCHEMBL5036578 0.90 MTOR (0.52) NPC1RAB9AMETCDK9KMT2A
SCHEMBL5036145 0.90 KDR (0.47) NPC1RAB9ALMNAMAPTHTT
SCHEMBL7148418 0.90 GALR2 (0.47) NPC1RAB9AMAPTTP53TUBB4A
SCHEMBL5042842 0.88 MAPT (0.42) NPC1RAB9ALMNAMAPTALDH1A1
SCHEMBL5036539 0.88 ENPP3 (0.50) NPC1RAB9AKDRTEK
SCHEMBL5033465 0.86 CNR1 (0.43) NPC1RAB9AALDH1A1TUBB4ATUBB
SCHEMBL5036480 0.86 NPC1 (0.53) NPC1RAB9ALMNAMAPTALDH1A1
SCHEMBL5042876 0.86 EPHX1 (0.42) NPC1RAB9AMAPTHTTTP53

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 NPC1 3782/4885RAB9A 3264/4885LMNA 4225/4885

“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.