SCHEMBL5036741

SCHEMBL5036741

COC(=O)Nc1nc2cc(OS(=O)(=O)c3ccc(NCC4CC4)cc3)ccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 3/20 0.49
TUBB P07437 3/20 0.49
TUBA3C P0DPH7 3/20 0.49
TUBA1B P68363 3/20 0.49
TUBA4A P68366 3/20 0.49
TUBB4B P68371 3/20 0.49
TUBB3 Q13509 3/20 0.49
TUBB2A Q13885 3/20 0.49
TUBB8 Q3ZCM7 3/20 0.49
TUBA3E Q6PEY2 3/20 0.49
TUBA1A Q71U36 3/20 0.49
TUBA1C Q9BQE3 3/20 0.49
TUBB6 Q9BUF5 3/20 0.49
TUBB2B Q9BVA1 3/20 0.49
TUBB1 Q9H4B7 3/20 0.49
MET P08581 2/20 0.49
CDK9 P50750 2/20 0.49
LMNA P02545 4/20 0.43
HIF1A Q16665 2/20 0.43
MAPK1 P28482 2/20 0.43

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
SCHEMBL6876717 0.94 MET (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5140295 0.93 MET (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5033389 0.89 SMN1; SMN2 (0.46) SMN1; SMN2
SCHEMBL5036487 0.89 ABL1 (0.43) METCDK9
SCHEMBL14300530 0.88 TUBB4A (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14302866 0.88 TUBB4A (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5041116 0.88 MET (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14300491 0.86 MET (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14302863 0.86 MET (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5033613 0.85 MET (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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.