SCHEMBL5040877

SCHEMBL5040877

CCCCN(CO)c1ccc(S(=O)(=O)Oc2ccc3[nH]c(NC(=O)C4CC4)nc3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42
TUBB4B P68371 2/20 0.42
TUBB3 Q13509 2/20 0.42
TUBB2A Q13885 2/20 0.42
TUBB8 Q3ZCM7 2/20 0.42
TUBA3E Q6PEY2 2/20 0.42
TUBA1A Q71U36 2/20 0.42
TUBA1C Q9BQE3 2/20 0.42
TUBB6 Q9BUF5 2/20 0.42
TUBB2B Q9BVA1 2/20 0.42
TUBB1 Q9H4B7 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ENPP3 O14638 10/20 0.40
ENPP1 P22413 9/20 0.40
ENPP2 Q13822 5/20 0.40
JAK1 P23458 3/20 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
SCHEMBL5036211 0.96 SMN1; SMN2 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5035924 0.89 SMN1; SMN2 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5036598 0.86 SMN1; SMN2 (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5041070 0.84 SMN1; SMN2 (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5036309 0.83 SMN1; SMN2 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5033418 0.83 SMN1; SMN2 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5033734 0.82 SMN1; SMN2 (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5043031 0.82 SMN1; SMN2 (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5037697 0.82 SMN1; SMN2 (0.47) SMN1; SMN2ENPP3ENPP1ENPP2NPC1
SCHEMBL5037864 0.82 SMN1; SMN2 (0.44) SMN1; SMN2ENPP3ENPP1ENPP2NPC1

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 TUBB4A 2388/4885TUBB 2424/4885TUBA3C 2404/4885

“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.