SCHEMBL5036619

SCHEMBL5036619

COC(=O)C1CCCN1C(=O)Nc1nc2cc(OS(=O)(=O)c3ccc(NC4CCCC4)cc3)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CASP3 P42574 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.37
ENPP3 O14638 2/20 0.36
ENPP1 P22413 2/20 0.36
ENPP2 Q13822 2/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
MET P08581 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
CDK9 P50750 1/20 0.36
TUBA1B P68363 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
SCHEMBL5036020 0.92 THRB (0.40) TP53CYP2C9CYP2C19MAPTHTT
SCHEMBL5036307 0.92 PIK3CA (0.39) TP53MAPTHTTENPP3ENPP1
SCHEMBL5041021 0.85 MAPT (0.40) MAPTHTTENPP3ENPP1ENPP2
SCHEMBL6017720 0.85 MMP1 (0.41) GAATP53CYP2C9CYP2C19CASP3
SCHEMBL5033450 0.82 MAPT (0.41) TP53MAPTHTTKMT2AENPP3
SCHEMBL5033615 0.82 ENPP3 (0.42) CYP2C9CYP2C19MAPTHTTENPP3
SCHEMBL5043065 0.82 NPC1 (0.44) MAPTHTTKMT2AENPP3ENPP1
SCHEMBL5036480 0.82 NPC1 (0.53) MAPTHTTENPP3ENPP1ENPP2
SCHEMBL5042870 0.82 ENPP3 (0.48) ENPP3ENPP1ENPP2TDP1
SCHEMBL5037539 0.81 NPC1 (0.41) MAPTHTTENPP3ENPP1ENPP2

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 GAA 1929/4885TP53 162/4885CYP2C9 266/4885

“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.