SCHEMBL6017773

SCHEMBL6017773

COc1cccc(CNc2nc3ccc(OS(=O)(=O)c4ccccc4)cc3[nH]2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
TP53 P04637 3/20 0.70
HTT P42858 2/20 0.50
LMNA P02545 1/20 0.50
GFER P55789 1/20 0.50
HIF1A Q16665 1/20 0.50
MET P08581 2/20 0.49
CDK9 P50750 2/20 0.49
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49
TUBA1A Q71U36 1/20 0.49

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
SCHEMBL5036435 0.92 RAB9A (0.60) RAB9ASMN1; SMN2TP53HTTLMNA
SCHEMBL5040870 0.86 RAB9A (0.53) RAB9ASMN1; SMN2TP53HTTLMNA
SCHEMBL6018617 0.85 SMN1; SMN2 (0.57) RAB9ASMN1; SMN2TP53HTTLMNA
SCHEMBL5036359 0.83 RAB9A (0.61) RAB9ASMN1; SMN2TP53HTTLMNA
SCHEMBL5037797 0.79 RAB9A (0.48) RAB9ASMN1; SMN2TP53HTTLMNA
SCHEMBL11874093 0.77 TUBB4A (0.73) RAB9ASMN1; SMN2HTTLMNAHIF1A
SCHEMBL5036227 0.77 RAB9A (0.53) RAB9ASMN1; SMN2TP53HTTLMNA
SCHEMBL5140614 0.77 TP53 (0.48) RAB9ASMN1; SMN2TP53LMNAMET
SCHEMBL6017699 0.76 MAPT (0.48) RAB9ASMN1; SMN2TP53HTTLMNA
SCHEMBL5036108 0.75 RAB9A (0.50) RAB9ASMN1; SMN2TP53HTTLMNA

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 2 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

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 RAB9A 3264/4885SMN1; SMN2 2426/4885TP53 162/4885

“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.