SCHEMBL5040941

SCHEMBL5040941

CC(CO)Nc1ccc(S(=O)(=O)Oc2ccc3[nH]c(NC(=O)NCCN4CCOCC4)nc3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 1/20 0.41
MET P08581 1/20 0.40
CDK9 P50750 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CNR1 P21554 1/20 0.39
LMNA P02545 1/20 0.39
NAMPT P43490 1/20 0.38
TSHR P16473 1/20 0.37
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
PDPK1 O15530 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
SYK P43405 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
CASR P41180 1/20 0.36
PIK3CD O00329 1/20 0.36

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
SCHEMBL7047488 0.92 MET (0.43) ALDH1A1KDM4EMAPTMETCDK9
SCHEMBL5139529 0.86 MET (0.51) ALDH1A1KDM4EMAPTMETCDK9
SCHEMBL5036240 0.85 MET (0.55) ALDH1A1KDM4EMAPTMETCDK9
SCHEMBL5036221 0.85 SMN1; SMN2 (0.40) ALDH1A1KDM4EMAPTMETCDK9
SCHEMBL5036224 0.85 MET (0.52) ALDH1A1KDM4EMAPTMETCDK9
SCHEMBL5036218 0.85 MET (0.40) ALDH1A1KDM4EMAPTMETCDK9
SCHEMBL5042998 0.85 ABL1 (0.44) METCDK9
SCHEMBL5036524 0.84 AURKB (0.43) ALDH1A1KDM4EMAPTMETCDK9
SCHEMBL5040744 0.83 CYP1A2 (0.45) ALDH1A1KDM4EMAPTMETCDK9
SCHEMBL5033861 0.83 MET (0.47) ALDH1A1KDM4EMAPTMETCDK9

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 3 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

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 ALDH1A1 1134/4885KDM4E 1962/4885MAPT 4854/4885

“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.