SCHEMBL5042876

SCHEMBL5042876

CN(C)c1ccc(NC(=O)Nc2nc3cc(OS(=O)(=O)c4ccc(NC5CCCC5)cc4)ccc3[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ENPP3 O14638 10/20 0.40
ENPP1 P22413 9/20 0.40
ENPP2 Q13822 5/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
ESR2 Q92731 1/20 0.38
NOX1 Q9Y5S8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KDR P35968 1/20 0.37
TEK Q02763 1/20 0.37

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
SCHEMBL5043065 0.91 NPC1 (0.44) EPHX1ENPP3ENPP1ENPP2NPC1
SCHEMBL5035957 0.90 ENPP3 (0.46) ENPP3ENPP1ENPP2NPC1RAB9A
SCHEMBL5036539 0.89 ENPP3 (0.50) EPHX1CA12CA9ENPP3ENPP1
SCHEMBL5033465 0.89 CNR1 (0.43) EPHX1CA12CA1CA2CA9
SCHEMBL5033442 0.89 NPC1 (0.38) ENPP3ENPP1ENPP2NPC1MAPT
SCHEMBL5036480 0.87 NPC1 (0.53) EPHX1CA12CA1CA2CA9
SCHEMBL5037539 0.87 NPC1 (0.41) ENPP3ENPP1ENPP2NPC1RAB9A
SCHEMBL5033714 0.87 NPC1 (0.54) EPHX1CA12CA1CA2CA9
SCHEMBL5041053 0.87 NPC1 (0.52) EPHX1CA12CA1CA2CA9
SCHEMBL5037862 0.87 NPC1 (0.52) EPHX1CA12CA1CA2CA9

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 EPHX1 3826/4885CA12 1732/4885CA1 3045/4885

“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.