SCHEMBL5036309

SCHEMBL5036309

CNCCN(C)c1ccc(S(=O)(=O)Oc2ccc3[nH]c(NC(=O)C4CC4)nc3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
MET P08581 2/20 0.40
CDK9 P50750 2/20 0.40
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 0.40
TUBA1A Q71U36 2/20 0.40
TUBA1C Q9BQE3 2/20 0.40
TUBB6 Q9BUF5 2/20 0.40
TUBB2B Q9BVA1 2/20 0.40
TUBB1 Q9H4B7 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL5041070 0.92 SMN1; SMN2 (0.44) SMN1; SMN2METCDK9TUBB4ATUBB
SCHEMBL5036598 0.92 SMN1; SMN2 (0.44) SMN1; SMN2METCDK9TUBB4ATUBB
SCHEMBL5033505 0.86 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9APOLBTDP1
SCHEMBL5043031 0.85 SMN1; SMN2 (0.45) SMN1; SMN2METCDK9TUBB4ATUBB
SCHEMBL5036884 0.84 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9APOLBTDP1
SCHEMBL5033359 0.84 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9APOLBTDP1
SCHEMBL5037864 0.84 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9APOLBTDP1
SCHEMBL5036211 0.84 SMN1; SMN2 (0.42) SMN1; SMN2METCDK9TUBB4ATUBB
SCHEMBL5035924 0.84 SMN1; SMN2 (0.42) SMN1; SMN2METCDK9TUBB4ATUBB
SCHEMBL5040767 0.83 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9APOLBTDP1

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 SMN1; SMN2 2426/4885MET 294/4885CDK9 136/4885

“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.