SCHEMBL5042861

SCHEMBL5042861

CN(C(=O)O)c1nc2cc(OS(=O)(=O)c3ccc(NCc4ccccn4)cc3)ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.39
MAOA P21397 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MCL1 Q07820 1/20 0.38
PKM P14618 1/20 0.38
POLB P06746 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
ENPP1 P22413 1/20 0.37
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 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
SCHEMBL5036815 0.85 ENPP1 (0.35) TDP1KMT2AENPP1GAAALDH1A1
SCHEMBL5033506 0.84 RORC (0.39) TDP1MCL1POLBCA12CA1
SCHEMBL5041060 0.84 ACE2 (0.35) POLBKMT2AENPP1ALDH1A1
SCHEMBL14300527 0.83 MCL1 (0.48) MCL1POLBCA12CA1CA2
SCHEMBL5041026 0.82 MEN1 (0.37) TDP1KMT2AENPP1ALDH1A1
SCHEMBL5036228 0.82 CNR2 (0.36) MAOBMAOACA12CA1CA2
SCHEMBL5042900 0.82 MET (0.40) TDP1KMT2AENPP1GAAALDH1A1
SCHEMBL5033719 0.82 MAPT (0.35) MAOATDP1POLBCA1CA2
SCHEMBL6018087 0.82 EGFR (0.35) TDP1KMT2AENPP1GAAALDH1A1
SCHEMBL5036159 0.81 ALDH1A1 (0.35) KMT2AENPP1ALDH1A1

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 MAOB 2252/4885MAOA 3095/4885TDP1 4378/4885

“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.