SCHEMBL5043031

SCHEMBL5043031

CN(C(N)=O)c1ccc(S(=O)(=O)Oc2ccc3[nH]c(NC(=O)C4CC4)nc3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ENPP3 O14638 12/20 0.41
ENPP1 P22413 11/20 0.41
ENPP2 Q13822 8/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
MET P08581 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
CDK9 P50750 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40

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
SCHEMBL5037864 0.87 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9APOLBTDP1
SCHEMBL5041070 0.86 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9APOLBTDP1
SCHEMBL5036598 0.86 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9APOLBTDP1
SCHEMBL5036309 0.85 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9APOLBTDP1
SCHEMBL5040767 0.84 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9APOLBTDP1
SCHEMBL5036233 0.84 ENPP3 (0.55) SMN1; SMN2NPC1RAB9APOLBTDP1
SCHEMBL5036211 0.83 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9APOLBTDP1
SCHEMBL5035924 0.83 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9APOLBTDP1
SCHEMBL7173499 0.83 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9APOLBTDP1
SCHEMBL5040856 0.83 TP53 (0.42) SMN1; SMN2NPC1RAB9APOLBTDP1

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 SMN1; SMN2 2426/4885NPC1 3782/4885RAB9A 3264/4885

“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.