SCHEMBL5036233

SCHEMBL5036233

O=C(Nc1nc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc2[nH]1)C1CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 12/20 0.55
ENPP1 P22413 10/20 0.55
ENPP2 Q13822 9/20 0.55
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ABL1 P00519 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
MET P08581 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
CDK9 P50750 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42

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
SCHEMBL5040767 0.88 SMN1; SMN2 (0.49) ENPP3ENPP1ENPP2SMN1; SMN2NPC1
SCHEMBL5036004 0.87 SMN1; SMN2 (0.48) ENPP3ENPP1ENPP2SMN1; SMN2NPC1
SCHEMBL5040851 0.87 SMN1; SMN2 (0.46) ENPP3ENPP1ENPP2SMN1; SMN2NPC1
SCHEMBL5033420 0.87 SMN1; SMN2 (0.46) ENPP3ENPP1ENPP2SMN1; SMN2NPC1
SCHEMBL7173499 0.87 SMN1; SMN2 (0.47) ENPP3ENPP1ENPP2SMN1; SMN2NPC1
SCHEMBL5033793 0.87 SMN1; SMN2 (0.47) ENPP3ENPP1ENPP2SMN1; SMN2NPC1
SCHEMBL9860722 0.86 ENPP1 (0.44) ENPP3ENPP1ENPP2SMN1; SMN2NPC1
SCHEMBL5033734 0.86 SMN1; SMN2 (0.45) ENPP3ENPP1ENPP2SMN1; SMN2NPC1
SCHEMBL5036041 0.86 SMN1; SMN2 (0.50) ENPP3ENPP1ENPP2SMN1; SMN2NPC1
SCHEMBL5042885 0.86 SMN1; SMN2 (0.47) ENPP3ENPP1ENPP2SMN1; SMN2NPC1

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 4 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
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.