SCHEMBL5040744

SCHEMBL5040744

O=C(NCCN1CCOCC1)Nc1nc2cc(OS(=O)(=O)c3ccc(-n4ccnc4)cc3)ccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45
NAMPT P43490 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
MET P08581 1/20 0.39
CDK9 P50750 1/20 0.39
DRD3 P35462 2/20 0.38
CD38 P28907 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
CNR1 P21554 1/20 0.37
TSHR P16473 1/20 0.37
PTGS2 P35354 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 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
SCHEMBL5042872 0.94 MET (0.40) CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL5042894 0.94 MET (0.40) CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL5036703 0.90 DRD3 (0.42) CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL5035937 0.88 MET (0.43) CYP2D6CYP3A4ALDH1A1MAPTMET
SCHEMBL5036073 0.88 DRD3 (0.44) CYP1A2CYP2D6CYP2C9CYP2C19NAMPT
SCHEMBL5040866 0.87 MET (0.43) CYP2D6CYP3A4ALDH1A1MAPTMET
SCHEMBL5037640 0.86 MET (0.45) CYP2D6CYP3A4ALDH1A1MAPTMET
SCHEMBL5036057 0.85 ALDH1A1 (0.40) KDM4EALDH1A1MAPTMETCDK9
SCHEMBL5043076 0.85 MEN1 (0.44) CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL5037648 0.85 MET (0.43) CYP2D6CYP3A4METCDK9DRD3

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 CYP1A2 734/4885CYP2D6 212/4885CYP2C9 266/4885

“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.