SCHEMBL6017650

SCHEMBL6017650

CN1CCN(CCCNc2ccc(S(=O)(=O)Oc3ccc4[nH]c(N(C=O)C5CC5)nc4c3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.35
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
TP53 P04637 1/20 0.33
CYP2D6 P10635 1/20 0.33
NMT1 P30419 1/20 0.33
HTR1A P08908 1/20 0.33
FLT3 P36888 1/20 0.32
DRD3 P35462 1/20 0.32
KDR P35968 1/20 0.32
TEK Q02763 1/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1F P30939 1/20 0.32

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
SCHEMBL6018071 0.87 ALDH1A1 (0.39) CYP1A2CYP2C9MAPTPOLBNPSR1
SCHEMBL7044189 0.85 ENPP3 (0.33) MAPT
SCHEMBL6017766 0.85 ENPP3 (0.31)
SCHEMBL6018120 0.84 ENPP3 (0.30)
SCHEMBL6017663 0.84 HTR6 (0.38)
SCHEMBL6017806 0.83 ENPP3 (0.32)
SCHEMBL6017898 0.82 KCNH3 (0.32)
SCHEMBL5036606 0.81 ENPP3 (0.33) MAPT
SCHEMBL6017878 0.80 DRD2 (0.38) DRD3
SCHEMBL6017833 0.80 MAPT (0.36) 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 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 MCHR1 3132/4885ICAM1 4263/4885SELE 3133/4885

“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.