SCHEMBL5141386

SCHEMBL5141386

O=CN(c1nc2cc(OS(=O)(=O)c3ccc(NCC4CCNCC4)cc3)ccc2[nH]1)C1CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.34
SCN9A Q15858 1/20 0.33
PRMT5 O14744 1/20 0.33
PIM1 P11309 2/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
PDGFRB P09619 1/20 0.32
FGFR1 P11362 1/20 0.32
KDR P35968 1/20 0.32
JAK2 O60674 1/20 0.32
ROCK2 O75116 1/20 0.32
JAK3 P52333 1/20 0.32
ROCK1 Q13464 1/20 0.32
FLT3 P36888 1/20 0.30
BRD4 O60885 1/20 0.30
ATAD2 Q6PL18 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
SCHEMBL6503148 0.87 SYK (0.33) SCN9APRMT5
SCHEMBL7044189 0.86 ENPP3 (0.33)
SCHEMBL5036606 0.85 ENPP3 (0.33)
SCHEMBL6018581 0.85 KDM4E (0.39) BRD4
SCHEMBL6018120 0.84 ENPP3 (0.30)
SCHEMBL5037949 0.84 CNR2 (0.33) ROCK2
SCHEMBL6017806 0.84 ENPP3 (0.32)
SCHEMBL6018097 0.82 ATM (0.35) PIM1
SCHEMBL6017766 0.82 ENPP3 (0.31)
SCHEMBL5036228 0.82 CNR2 (0.36)

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
EP-1432417-B1 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER AVENTIS PHARMA SA (FR) 2008-02-20 EP 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 HTR6 792/4885SCN9A 2761/4885PRMT5 1959/4885

“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.