SCHEMBL5040899

SCHEMBL5040899

O=C(NCc1ccccn1)Nc1nc2ccc(OS(=O)(=O)c3ccc(NCC4CCOCC4)cc3)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MET P08581 2/20 0.42
CDK9 P50750 2/20 0.42
CYP3A4 P08684 1/20 0.39
EPHX2 P34913 1/20 0.39
PARP14 Q460N5 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 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
SCHEMBL5036928 0.89 MET (0.46) METCDK9TUBB4ATUBBTUBA3C
SCHEMBL5036378 0.88 CA12 (0.50) CA12CA1CA2CA9MET
SCHEMBL5033460 0.85 MET (0.50) CA12CA1CA2CA9MET
SCHEMBL5036423 0.85 MET (0.50) METCDK9TUBB4ATUBBTUBA3C
SCHEMBL5040752 0.85 MET (0.45) CA12CA1CA2CA9MET
SCHEMBL5037767 0.84 MET (0.59) METCDK9TUBB4ATUBBTUBA3C
SCHEMBL5043040 0.84 MET (0.51) CA12CA1CA2CA9MET
SCHEMBL5033433 0.84 MET (0.44) CA12CA1CA2CA9MET
SCHEMBL5042884 0.84 CA12 (0.41) CA12CA1CA2CA9MET
SCHEMBL5040731 0.83 MET (0.46) CA12CA1CA2CA9MET

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 CA12 1732/4885CA1 3045/4885CA2 921/4885

“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.