SCHEMBL6017833

SCHEMBL6017833

O=CN(c1nc2cc(OS(=O)(=O)c3ccc(N4CCN(CCO)CC4)cc3)ccc2[nH]1)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
HTR7 P34969 10/20 0.33
HTR2A P28223 8/20 0.33
HTR2C P28335 8/20 0.33
EGFR P00533 1/20 0.33
DRD2 P14416 2/20 0.33
TERT O14746 1/20 0.33
SYK P43405 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31

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
SCHEMBL5037986 0.93 DRD2 (0.34) HTR7HTR2AHTR2CDRD2
SCHEMBL6017878 0.91 DRD2 (0.38) HTR7HTR2AHTR2CDRD2SYK
SCHEMBL6017982 0.89 TPSAB1 (0.32) MAPT
SCHEMBL6017851 0.88 LMNA (0.39) MAPT
SCHEMBL6017863 0.82 NPY5R (0.33) MAPT
SCHEMBL7044189 0.81 ENPP3 (0.33) MAPT
SCHEMBL6017650 0.80 MCHR1 (0.35) MAPT
SCHEMBL6017806 0.79 ENPP3 (0.32)
SCHEMBL6018066 0.79 ENPP3 (0.31)
SCHEMBL5037858 0.78 SMN1; SMN2 (0.42) MAPT

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-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 MAPT 4854/4885HTR7 580/4885HTR2A 2073/4885

“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.