SCHEMBL5139529

SCHEMBL5139529

COCCNc1ccc(S(=O)(=O)Oc2ccc3[nH]c(NC(=O)NCCN4CCOCC4)nc3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.51
CDK9 P50750 1/20 0.51
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 2/20 0.41
CNR1 P21554 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 1/20 0.39
SYK P43405 2/20 0.39
TSHR P16473 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
PTGS2 P35354 1/20 0.38
PDPK1 O15530 1/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL5036224 0.97 MET (0.52) METCDK9ALDH1A1KDM4EMAPT
SCHEMBL7047488 0.91 MET (0.43) METCDK9ALDH1A1KDM4EMAPT
SCHEMBL5040962 0.89 TSHR (0.45) METCDK9ALDH1A1KDM4EMAPT
SCHEMBL5036010 0.89 MET (0.62) METCDK9ALDH1A1KDM4EMAPT
SCHEMBL5036221 0.88 SMN1; SMN2 (0.40) METCDK9ALDH1A1KDM4EMAPT
SCHEMBL5036524 0.88 AURKB (0.43) METCDK9ALDH1A1KDM4EMAPT
SCHEMBL5040941 0.86 ALDH1A1 (0.41) METCDK9ALDH1A1KDM4EMAPT
SCHEMBL5042956 0.86 ABL1 (0.39) METCDK9ALDH1A1KDM4EMAPT
SCHEMBL5036827 0.86 MET (0.49) METCDK9ALDH1A1KDM4EMAPT
SCHEMBL5036676 0.86 MET (0.49) METCDK9ALDH1A1KDM4EMAPT

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 5 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-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 MET 294/4885CDK9 136/4885ALDH1A1 1134/4885

“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.