SCHEMBL5033466

SCHEMBL5033466

O=C(Nc1nc2cc(OS(=O)(=O)c3ccc(NC4CCCC4)cc3)ccc2[nH]1)c1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 9/20 0.40
ENPP1 P22413 9/20 0.40
ENPP2 Q13822 6/20 0.40
TRPV1 Q8NER1 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 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
SCHEMBL7044880 1.00 ENPP3 (0.40) ENPP3ENPP1ENPP2TRPV1NPC1
SCHEMBL5040967 0.92 NPC1 (0.46) ENPP3ENPP1ENPP2TRPV1NPC1
SCHEMBL5037738 0.87 GRM4 (0.47) ENPP3ENPP1ENPP2TRPV1NPC1
SCHEMBL5043133 0.86 NAMPT (0.50)
SCHEMBL5042870 0.86 ENPP3 (0.48) ENPP3ENPP1ENPP2NPC1RAB9A
SCHEMBL5036480 0.86 NPC1 (0.53) ENPP3ENPP1ENPP2NPC1RAB9A
SCHEMBL5037777 0.85 ENPP3 (0.52) ENPP3ENPP1ENPP2NPC1RAB9A
SCHEMBL5041053 0.85 NPC1 (0.52) ENPP3ENPP1ENPP2NPC1RAB9A
SCHEMBL5033714 0.85 NPC1 (0.54) ENPP3ENPP1ENPP2NPC1RAB9A
SCHEMBL5037862 0.85 NPC1 (0.52) ENPP3ENPP1ENPP2NPC1RAB9A

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 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.