SCHEMBL5033423

SCHEMBL5033423

Cc1cc(C)cc(Nc2nc3cc(OS(=O)(=O)c4ccc(NC5CCCC5)cc4)ccc3[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 8/20 0.40
ENPP1 P22413 7/20 0.40
ENPP2 Q13822 5/20 0.40
HTR6 P50406 2/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RIPK1 Q13546 2/20 0.36
ITK Q08881 2/20 0.35
HTT P42858 1/20 0.35
APAF1 O14727 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
BLM P54132 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL5042961 0.90 HTR6 (0.45) HTR6KDM4EMEN1KMT2AHTT
SCHEMBL5037857 0.89 ENPP3 (0.40) ENPP3ENPP1ENPP2HTR6KDM4E
SCHEMBL5033442 0.88 NPC1 (0.38) ENPP3ENPP1ENPP2HTR6MAPT
SCHEMBL5033414 0.87 MAPT (0.41) HTR6MAPTMEN1KMT2AALDH1A1
SCHEMBL7148418 0.86 GALR2 (0.47) HTR6MAPTMEN1KMT2A
SCHEMBL5033747 0.84 ENPP3 (0.39) ENPP3ENPP1ENPP2HTR6
SCHEMBL5037881 0.83 LMNA (0.43) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL5041016 0.82 MAPT (0.46) MAPTKDM4EHTTALDH1A1
SCHEMBL5036480 0.82 NPC1 (0.53) ENPP3ENPP1ENPP2MAPTHTT
SCHEMBL5042870 0.82 ENPP3 (0.48) ENPP3ENPP1ENPP2TDP1

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
US-7041668-B2 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2006-05-09 US claimed
US-20050014811-A1 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2005-01-20 US claimed
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 ENPP3 2927/4885ENPP1 3915/4885ENPP2 2109/4885

“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.