SCHEMBL5033749

SCHEMBL5033749

O=C(NCCN1CCOCC1)Nc1nc2cc(OS(=O)(=O)c3cccs3)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.43
CDK9 P50750 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 3/20 0.41
RAB9A P51151 1/20 0.41
ERCC1 P07992 1/20 0.41
DNASE1 P24855 1/20 0.41
FEN1 P39748 1/20 0.41
ERCC4 Q92889 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HSD17B10 Q99714 1/20 0.40
ABL1 P00519 3/20 0.39
PKM P14618 1/20 0.39
CASR P41180 1/20 0.38
CNR1 P21554 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM5B Q9UGL1 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
SCHEMBL544096 0.85 MET (0.61) METCDK9KDM4EALDH1A1MAPT
SCHEMBL544005 0.85 MET (0.54) METCDK9KDM4EALDH1A1MAPT
SCHEMBL5036035 0.83 MET (0.61) METCDK9KDM4EALDH1A1MAPT
SCHEMBL543823 0.82 MET (0.43) METCDK9KDM4EALDH1A1MAPT
SCHEMBL5036762 0.82 ABL1 (0.53) METCDK9ABL1
SCHEMBL5043020 0.82 MAPT (0.46) METCDK9KDM4EALDH1A1MAPT
SCHEMBL544583 0.82 MET (0.51) METCDK9KDM4EALDH1A1MAPT
SCHEMBL5036524 0.81 AURKB (0.43) METCDK9KDM4EALDH1A1MAPT
SCHEMBL5036057 0.80 ALDH1A1 (0.40) METCDK9KDM4EALDH1A1MAPT
SCHEMBL5139529 0.80 MET (0.51) METCDK9KDM4EALDH1A1MAPT

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 136/4885KDM4E 1962/4885

“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.