SCHEMBL5042865

SCHEMBL5042865

CC(COc1ccccc1)Nc1ccc(S(=O)(=O)Oc2ccc3[nH]c(NC(=O)C4CC4)nc3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
ENPP3 O14638 11/20 0.43
ENPP1 P22413 10/20 0.43
ENPP2 Q13822 7/20 0.42
MAPT P10636 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
ALOX12 P18054 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
MET P08581 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
CDK9 P50750 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 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
SCHEMBL5036395 0.91 SMN1; SMN2 (0.42) SMN1; SMN2ENPP3ENPP1ENPP2NPC1
SCHEMBL5036049 0.89 SMN1; SMN2 (0.44) SMN1; SMN2ENPP3ENPP1ENPP2NPC1
SCHEMBL5033795 0.87 SMN1; SMN2 (0.42) SMN1; SMN2ENPP3ENPP1ENPP2NPC1
SCHEMBL5036123 0.85 SMN1; SMN2 (0.46) SMN1; SMN2ENPP3ENPP1ENPP2MAPT
SCHEMBL5036237 0.84 SMN1; SMN2 (0.45) SMN1; SMN2ENPP3ENPP1ENPP2NPC1
SCHEMBL5036041 0.84 SMN1; SMN2 (0.50) SMN1; SMN2ENPP3ENPP1ENPP2MAPT
SCHEMBL5037714 0.84 SMN1; SMN2 (0.45) SMN1; SMN2ENPP3ENPP1ENPP2NPC1
SCHEMBL5036520 0.83 KMT2A (0.50) SMN1; SMN2ENPP3ENPP1ENPP2MAPT
SCHEMBL5042988 0.83 SMN1; SMN2 (0.44) SMN1; SMN2ENPP3ENPP1ENPP2NPC1
SCHEMBL5041061 0.83 ENPP3 (0.39) SMN1; SMN2ENPP3ENPP1ENPP2MAPT

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 SMN1; SMN2 2426/4885ENPP3 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.