SCHEMBL5033442

SCHEMBL5033442

CN(C)c1ccc(Nc2nc3cc(OS(=O)(=O)c4ccc(NC5CCCC5)cc4)ccc3[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
HTR6 P50406 2/20 0.36
ROCK2 O75116 1/20 0.36
RIPK1 Q13546 2/20 0.35
SYK P43405 1/20 0.35
ENPP3 O14638 6/20 0.35
ENPP1 P22413 6/20 0.35
ENPP2 Q13822 4/20 0.35
CDK2 P24941 2/20 0.34
GSK3B P49841 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL5042961 0.90 HTR6 (0.45) HTR6CDK2HTT
SCHEMBL5042876 0.89 EPHX1 (0.42) NPC1ENPP3ENPP1ENPP2MAPT
SCHEMBL5037857 0.89 ENPP3 (0.40) HTR6RIPK1ENPP3ENPP1ENPP2
SCHEMBL5033423 0.88 ENPP3 (0.40) HTR6RIPK1ENPP3ENPP1ENPP2
SCHEMBL5033414 0.85 MAPT (0.41) NPC1HTR6SYKMAPT
SCHEMBL7148418 0.84 GALR2 (0.47) NPC1HTR6MAPT
SCHEMBL5037881 0.83 LMNA (0.43) ADORA3ROCK2SYKMAPTHTT
SCHEMBL5043014 0.82 ENPP3 (0.39) NPC1ENPP3ENPP1ENPP2MAPT
SCHEMBL5037864 0.82 SMN1; SMN2 (0.44) NPC1ENPP3ENPP1ENPP2
SCHEMBL5033747 0.81 ENPP3 (0.39) HTR6SYKENPP3ENPP1ENPP2

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 3782/4885ADORA3 175/4885ADORA2A 922/4885

“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.