SCHEMBL5036013

SCHEMBL5036013

COc1ccc(N2CCN(c3ccc(S(=O)(=O)Oc4ccc5[nH]c(NC(=O)C6CC6)nc5c4)cc3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.44
MAPT P10636 5/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
MET P08581 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
CDK9 P50750 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43

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
SCHEMBL5033454 0.93 ABL1 (0.46) SMN1; SMN2TUBB4ATUBBMETTUBA3C
SCHEMBL5033793 0.93 SMN1; SMN2 (0.47) SMN1; SMN2POLBRAB9ANPC1TDP1
SCHEMBL5036504 0.92 SMN1; SMN2 (0.50) SMN1; SMN2MAPTMEN1KMT2AHPGD
SCHEMBL5033727 0.92 SMN1; SMN2 (0.47) SMN1; SMN2POLBRAB9ANPC1TDP1
SCHEMBL5036783 0.91 SMN1; SMN2 (0.44) SMN1; SMN2MAPTTUBB4ATUBBMET
SCHEMBL5037629 0.90 ABL1 (0.46) SMN1; SMN2MAPTHPGDTUBB4ATUBB
SCHEMBL5043047 0.90 PDPK1 (0.46) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL5040873 0.90 ABL1 (0.44) SMN1; SMN2TUBB4ATUBBMETTUBA3C
SCHEMBL5035919 0.90 SMN1; SMN2 (0.44) SMN1; SMN2MAPTTUBB4ATUBBMET
SCHEMBL5040951 0.90 MMP2 (0.43) SMN1; SMN2MEN1KMT2AHPGDALDH1A1

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 5 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
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 SMN1; SMN2 2426/4885MAPT 4854/4885MEN1 3925/4885

“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.