SCHEMBL5036020

SCHEMBL5036020

O=C(O)[C@@H]1CCCN1C(=O)Nc1nc2cc(OS(=O)(=O)c3ccc(NC4CCCC4)cc3)ccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
ALOX12 P18054 1/20 0.40
KMT2A Q03164 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
TP53 P04637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ENPP3 O14638 8/20 0.36
ENPP1 P22413 7/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
ENPP2 Q13822 5/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGAV P06756 1/20 0.35
ITGA5 P08648 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
SCHEMBL5036307 0.93 PIK3CA (0.39) TP53ENPP3ENPP1MAPTHTT
SCHEMBL5036619 0.92 GAA (0.39) KMT2ATP53ENPP3ENPP1CYP2C9
SCHEMBL5041021 0.87 MAPT (0.40) ALDH1A1ENPP3ENPP1MAPTHTT
SCHEMBL5037865 0.85 MMP1 (0.42) THRBALOX12KMT2ACA1CA2
SCHEMBL5042870 0.83 ENPP3 (0.48) ENPP3ENPP1ENPP2
SCHEMBL5036480 0.83 NPC1 (0.53) CA1CA2ALDH1A1ENPP3ENPP1
SCHEMBL5040967 0.83 NPC1 (0.46) KMT2AALDH1A1ENPP3ENPP1MAPT
SCHEMBL5035957 0.83 ENPP3 (0.46) ENPP3ENPP1ENPP2ITGB3ITGAV
SCHEMBL5041053 0.82 NPC1 (0.52) CA1CA2ALDH1A1ENPP3ENPP1
SCHEMBL5037777 0.82 ENPP3 (0.52) ENPP3ENPP1ENPP2

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 3 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

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 THRB 2144/4885ALOX12 2554/4885KMT2A 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.