SCHEMBL6017982

SCHEMBL6017982

O=CN(c1nc2cc(OS(=O)(=O)c3ccc(N4CCC(CCO)CC4)cc3)ccc2[nH]1)C1CC1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.32
MAPT P10636 2/20 0.32
AKR1C3 P42330 2/20 0.31
PDE10A Q9Y233 1/20 0.31
BRD4 O60885 1/20 0.30
HTR2B P41595 1/20 0.30
HTR6 P50406 1/20 0.30
HRH1 P35367 1/20 0.30
CCR3 P51677 1/20 0.30
KCNH2 Q12809 1/20 0.30
CDK1 P06493 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL6017833 0.89 MAPT (0.36) MAPT
SCHEMBL6017851 0.86 LMNA (0.39) MAPTHTR6
SCHEMBL5037986 0.86 DRD2 (0.34)
SCHEMBL6017863 0.85 NPY5R (0.33) MAPTAKR1C3CDK1CDK2
SCHEMBL6017878 0.83 DRD2 (0.38)
SCHEMBL7044189 0.81 ENPP3 (0.33) MAPT
SCHEMBL6017806 0.79 ENPP3 (0.32)
SCHEMBL6017897 0.79 ENPP3 (0.33) MAPT
SCHEMBL6018066 0.79 ENPP3 (0.31)
SCHEMBL5037755 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 TPSAB1 1830/4885MAPT 4854/4885AKR1C3 622/4885

“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.