SCHEMBL6017771

SCHEMBL6017771

CC(C)NC(=O)Nc1nc2cc(OS(=O)(=O)c3ccc(-n4ccnc4)cc3)ccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.38
PORCN Q9H237 2/20 0.38
POLB P06746 1/20 0.37
MET P08581 2/20 0.37
CDK9 P50750 2/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37

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
SCHEMBL5043100 0.92 MET (0.36) CD38PORCNPOLBMETCDK9
SCHEMBL5036506 0.90 MET (0.40) PORCNMETCDK9TUBB4ATUBB
SCHEMBL5033757 0.89 MET (0.42) CD38PORCNMETCDK9TUBB4A
SCHEMBL5040954 0.88 MAPT (0.38) PORCNMETCDK9TUBB4ATUBB
SCHEMBL5037649 0.88 ABL1 (0.44) METCDK9
SCHEMBL5033417 0.88 MET (0.37) PORCNPOLBMETCDK9TUBB4A
SCHEMBL5042878 0.88 KDM4E (0.41) POLBMETCDK9TUBB4ATUBB
SCHEMBL5035937 0.87 MET (0.43) PORCNMETCDK9TUBB4ATUBB
SCHEMBL5036489 0.87 KDR (0.43) PORCNLMNAALDH1A1MAPK1
SCHEMBL5037996 0.86 NPC1 (0.44) CD38HTTMMP1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CD38 2389/4885PORCN 3365/4885POLB 3183/4885

“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.