SCHEMBL6017878

SCHEMBL6017878

COCCN1CCN(c2ccc(S(=O)(=O)Oc3ccc4[nH]c(N(C=O)C5CC5)nc4c3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.38
CTSS P25774 4/20 0.36
DRD3 P35462 1/20 0.35
HTR7 P34969 3/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
DRD4 P21917 1/20 0.34
SYK P43405 1/20 0.34
KDM2B Q8NHM5 1/20 0.33

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 0.91 MAPT (0.36) DRD2HTR7HTR2AHTR2CSYK
SCHEMBL5037986 0.90 DRD2 (0.34) DRD2DRD3HTR7HTR2AHTR2C
SCHEMBL6017851 0.90 LMNA (0.39) DRD4
SCHEMBL6017982 0.83 TPSAB1 (0.32)
SCHEMBL6017650 0.80 MCHR1 (0.35) DRD3
SCHEMBL5040951 0.79 MMP2 (0.43) DRD2CTSS
SCHEMBL6017663 0.77 HTR6 (0.38)
SCHEMBL6017698 0.77 ACE2 (0.31)
SCHEMBL6017863 0.76 NPY5R (0.33)
SCHEMBL5033761 0.76 CHEK1 (0.34)

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 2 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

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 DRD2 1796/4885CTSS 2782/4885DRD3 1131/4885

“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.