SCHEMBL5033440

SCHEMBL5033440

CC(=O)NC1CCN(c2ccc(S(=O)(=O)Oc3ccc4[nH]c(NC(=O)C5CC5)nc4c3)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
CCNC P24863 2/20 0.40
CDK8 P49336 2/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.38
ENPP3 O14638 5/20 0.37
ENPP1 P22413 5/20 0.37
ENPP2 Q13822 4/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
MET P08581 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
CDK9 P50750 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 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
SCHEMBL5033857 0.88 ABL1 (0.47) SMN1; SMN2NPC1RAB9AMAPTPOLB
SCHEMBL5036783 0.87 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AMAPTPOLB
SCHEMBL5033793 0.87 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9APOLBTDP1
SCHEMBL5037629 0.86 ABL1 (0.46) SMN1; SMN2NPC1RAB9AMAPTPOLB
SCHEMBL5033727 0.86 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9APOLBTDP1
SCHEMBL5036794 0.86 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9AMAPTPOLB
SCHEMBL5035919 0.85 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AMAPTPOLB
SCHEMBL5033454 0.85 ABL1 (0.46) SMN1; SMN2NPC1RAB9APOLBTDP1
SCHEMBL5036013 0.85 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AMAPTPOLB
SCHEMBL5036831 0.85 SMN1; SMN2 (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 2426/4885CCNC 152/4885CDK8 67/4885

“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.