SCHEMBL5033719

SCHEMBL5033719

CCCCNc1ccc(S(=O)(=O)Oc2ccc3[nH]c(N(C)C(=O)O)nc3c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 5/20 0.35
MAPK1 P28482 2/20 0.35
CYP1A2 P05177 1/20 0.35
MAOA P21397 1/20 0.35
CNR1 P21554 1/20 0.35
DRD4 P21917 1/20 0.35
ACHE P22303 1/20 0.35
HRH2 P25021 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
NTSR1 P30989 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
SCN1A P35498 1/20 0.35
HTR2B P41595 1/20 0.35
SCN7A Q01118 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL5140564 0.92 ACE2 (0.33) MAPTALDH1A1LMNAKCNH2EGFR
SCHEMBL5036256 0.91 MET (0.37) ALDH1A1KDM4ELMNAMAPK1KMT2A
SCHEMBL5041060 0.91 ACE2 (0.35) MAPTALDH1A1KDM4ELMNACYP1A2
SCHEMBL5036815 0.91 ENPP1 (0.35) MAPTALDH1A1KDM4ELMNAMAPK1
SCHEMBL6017783 0.90 CA1 (0.37) MAPTALDH1A1KDM4ELMNAKCNH2
SCHEMBL5042900 0.89 MET (0.40) MAPTALDH1A1LMNARAB9AKMT2A
SCHEMBL5033506 0.88 RORC (0.39) MAPTALDH1A1KDM4EMAPK1RAB9A
SCHEMBL5041026 0.86 MEN1 (0.37) MAPTALDH1A1KDM4ELMNAEGFR
SCHEMBL6018087 0.86 EGFR (0.35) MAPTALDH1A1KDM4ELMNAMAPK1
SCHEMBL5036159 0.85 ALDH1A1 (0.35) MAPTALDH1A1KDM4ELMNAEGFR

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 6 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
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 MAPT 4854/4885ALDH1A1 1134/4885KDM4E 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.