SCHEMBL6017898

SCHEMBL6017898

O=CN(c1nc2cc(OS(=O)(=O)c3ccc(NCCOCCO)cc3)ccc2[nH]1)C1CC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 2/20 0.32
ENPP3 O14638 7/20 0.31
ENPP1 P22413 5/20 0.31
ENPP2 Q13822 5/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAB1 Q9Y478 1/20 0.31

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
SCHEMBL7044189 0.93 ENPP3 (0.33) ENPP3ENPP1ENPP2
SCHEMBL6017806 0.90 ENPP3 (0.32) ENPP3ENPP1ENPP2
SCHEMBL6017766 0.89 ENPP3 (0.31) ENPP3ENPP1ENPP2
SCHEMBL6018120 0.85 ENPP3 (0.30) ENPP3ENPP1ENPP2
SCHEMBL5036606 0.85 ENPP3 (0.33) ENPP3ENPP1ENPP2
SCHEMBL6017660 0.84 ENPP3 (0.33) ENPP3ENPP1ENPP2
SCHEMBL6018066 0.84 ENPP3 (0.31) ENPP3ENPP1ENPP2
SCHEMBL5037986 0.82 DRD2 (0.34)
SCHEMBL5037949 0.82 CNR2 (0.33) ENPP3ENPP1ENPP2
SCHEMBL6017897 0.82 ENPP3 (0.33) 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 2 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 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 KCNH3 1637/4885ENPP3 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.