SCHEMBL5037865

SCHEMBL5037865

O=C(O)C1CCCN1C(=O)Nc1nc2cc(OS(=O)(=O)c3ccc(-n4ccnc4)cc3)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.42
PORCN Q9H237 2/20 0.39
THRB P10828 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
NOS2 P35228 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.34
TP53 P04637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34
ESR1 P03372 1/20 0.34
CYP19A1 P11511 1/20 0.34
ESR2 Q92731 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGB1 P05556 1/20 0.33

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
SCHEMBL5040690 0.93 MMP1 (0.41) MMP1PORCNNOS2MAPTHTT
SCHEMBL6017720 0.93 MMP1 (0.41) MMP1PORCNKMT2ANOS2MAPT
SCHEMBL5036014 0.86 MMP1 (0.40) MMP1NOS2HRH3MAPTHTT
SCHEMBL5036020 0.85 THRB (0.40) THRBALOX12KMT2ACA1CA2
SCHEMBL5037717 0.84 ENPP3 (0.45) MMP1
SCHEMBL5040906 0.83 NPC1 (0.46) MMP1NOS2CA1CA2MAPT
SCHEMBL5037996 0.83 NPC1 (0.44) MMP1NOS2MAPTHTTESR1
SCHEMBL5043085 0.83 NPC1 (0.41) MMP1ESR1CYP19A1ESR2
SCHEMBL5036523 0.82 NPC1 (0.48) MMP1NOS2HRH3MAPTHTT
SCHEMBL5037979 0.82 NPC1 (0.43) MMP1PORCNNOS2MAPTHTT

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 MMP1 4550/4885PORCN 3365/4885THRB 2144/4885

“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.