SCHEMBL5037853

SCHEMBL5037853

CN1CCCC1CCNc1ccc(S(=O)(=O)Oc2ccc3[nH]c(NC(=O)C4CC4)nc3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.42
ENPP3 O14638 13/20 0.41
ENPP1 P22413 11/20 0.41
ENPP2 Q13822 8/20 0.41
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.38
HTR6 P50406 2/20 0.38

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
SCHEMBL5042839 0.88 ENPP3 (0.44) ENPP3ENPP1ENPP2SMN1; SMN2
SCHEMBL5033487 0.87 ENPP3 (0.45) ENPP3ENPP1ENPP2SMN1; SMN2
SCHEMBL5037583 0.86 ENPP3 (0.43) ENPP3ENPP1ENPP2SMN1; SMN2
SCHEMBL5043128 0.86 MET (0.47) ENPP3ENPP1ENPP2SMN1; SMN2
SCHEMBL5033734 0.86 SMN1; SMN2 (0.45) ENPP3ENPP1ENPP2SMN1; SMN2MAPT
SCHEMBL5040947 0.85 ENPP3 (0.44) ENPP3ENPP1ENPP2SMN1; SMN2
SCHEMBL5036401 0.85 ENPP3 (0.42) ENPP3ENPP1ENPP2SMN1; SMN2
SCHEMBL5037835 0.85 ENPP3 (0.44) ENPP3ENPP1ENPP2SMN1; SMN2
SCHEMBL5037887 0.85 ENPP3 (0.41) ENPP3ENPP1ENPP2SMN1; SMN2MAPT
SCHEMBL5033505 0.85 SMN1; SMN2 (0.44) ENPP3ENPP1ENPP2SMN1; SMN2

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 TERT 3519/4885ENPP3 2927/4885ENPP1 3915/4885

“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.