SCHEMBL5036159

SCHEMBL5036159

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PTBP1 P26599 1/20 0.35
ENPP1 P22413 7/20 0.33
ENPP2 Q13822 4/20 0.33
ENPP3 O14638 4/20 0.33
RECQL P46063 1/20 0.33
HSP90AA1 P07900 1/20 0.32
PTPN1 P18031 1/20 0.32
RAB9A P51151 1/20 0.31
GPR17 Q13304 1/20 0.31
ABL1 P00519 1/20 0.31
EGFR P00533 1/20 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
SCHEMBL5036815 0.88 ENPP1 (0.35) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL5041060 0.86 ACE2 (0.35) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL5041026 0.85 MEN1 (0.37) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL5042900 0.85 MET (0.40) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL6018087 0.85 EGFR (0.35) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL5033719 0.85 MAPT (0.35) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL5140564 0.84 ACE2 (0.33) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL6017783 0.83 CA1 (0.37) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL5033506 0.83 RORC (0.39) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL5036256 0.83 MET (0.37) ALDH1A1KDM4EMEN1KMT2ALMNA

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 ALDH1A1 1134/4885KDM4E 1962/4885MEN1 3925/4885

“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.