SCHEMBL5140564

SCHEMBL5140564

CN(C(=O)O)c1nc2cc(OS(=O)(=O)c3ccc(NCCCCO)cc3)ccc2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PTBP1 P26599 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ENPP1 P22413 3/20 0.32
ENPP2 Q13822 2/20 0.32
ENPP3 O14638 2/20 0.32
PPARG P37231 1/20 0.32
MET P08581 1/20 0.31
CDK9 P50750 1/20 0.31
LTA4H P09960 1/20 0.31
ALDH1A1 P00352 4/20 0.31

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
SCHEMBL5041060 0.94 ACE2 (0.35) ACE2MEN1KMT2ALMNAMAPT
SCHEMBL5033719 0.92 MAPT (0.35) ACE2MEN1KMT2ALMNAMAPT
SCHEMBL5036256 0.90 MET (0.37) MEN1KMT2ALMNASMN1; SMN2ENPP1
SCHEMBL5042900 0.89 MET (0.40) ACE2MEN1KMT2ALMNAMAPT
SCHEMBL5036815 0.88 ENPP1 (0.35) ACE2MEN1KMT2ALMNAMAPT
SCHEMBL5033506 0.87 RORC (0.39) MEN1KMT2AMAPTCA12CA1
SCHEMBL6017783 0.87 CA1 (0.37) ACE2MEN1KMT2ALMNAMAPT
SCHEMBL5041026 0.85 MEN1 (0.37) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL6018087 0.85 EGFR (0.35) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL5036159 0.84 ALDH1A1 (0.35) MEN1KMT2ALMNAMAPTSMN1; SMN2

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 4 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-1298125-A1 Substituted benzimidazole compounds and their use for the treatment of cancer Aventis Pharma S.A. (FR) 2003-04-02 EP 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 ACE2 3428/4885MEN1 3925/4885KMT2A 2114/4885

“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.