SCHEMBL5040951

SCHEMBL5040951

COCCN1CCN(c2ccc(S(=O)(=O)Oc3ccc4[nH]c(NC(=O)C5CC5)nc4c3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.43
MMP13 P45452 3/20 0.43
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP14 P50281 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.40
MET P08581 2/20 0.40
CDK9 P50750 2/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 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
SCHEMBL5037858 0.91 SMN1; SMN2 (0.42) MMP2MMP13SMN1; SMN2METCDK9
SCHEMBL5037985 0.91 SMN1; SMN2 (0.39) MMP2MMP13MMP1MMP3MMP9
SCHEMBL5036013 0.90 SMN1; SMN2 (0.44) SMN1; SMN2METCDK9TUBB4ATUBB
SCHEMBL5033454 0.90 ABL1 (0.46) SMN1; SMN2METCDK9TUBB4ATUBB
SCHEMBL5033537 0.89 SMN1; SMN2 (0.40) SMN1; SMN2METCDK9TUBB4ATUBB
SCHEMBL5033793 0.88 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9A
SCHEMBL5036504 0.87 SMN1; SMN2 (0.50) SMN1; SMN2METCDK9TUBB4ATUBB
SCHEMBL5033727 0.87 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9A
SCHEMBL5040873 0.87 ABL1 (0.44) SMN1; SMN2METCDK9TUBB4ATUBB
SCHEMBL5036783 0.86 SMN1; SMN2 (0.44) SMN1; SMN2METCDK9TUBB4ATUBB

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 MMP2 3952/4885MMP13 4012/4885MMP1 4550/4885

“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.