SCHEMBL5040774

SCHEMBL5040774

O=C(NCCNCCO)Nc1nc2cc(OS(=O)(=O)c3ccc(NCC4CCCO4)cc3)ccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.38
CDK9 P50750 1/20 0.38
ACR P10323 1/20 0.36
ALDH1A1 P00352 6/20 0.36
HPGD P15428 5/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 3/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 2/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 3/20 0.35
GAA P10253 2/20 0.35
RAB9A P51151 2/20 0.35
GLA P06280 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL5033975 0.96 MET (0.40) METCDK9ACRALDH1A1HPGD
SCHEMBL5037918 0.93 MET (0.42) METCDK9ACRALDH1A1HPGD
SCHEMBL5036471 0.92 MET (0.40) METCDK9ACRALDH1A1HPGD
SCHEMBL5041033 0.91 MET (0.40) METCDK9ALDH1A1HPGDKDM4E
SCHEMBL6017714 0.89 ALDH1A1 (0.40) METCDK9ALDH1A1HPGDKDM4E
SCHEMBL5042893 0.89 MET (0.38) METCDK9ALDH1A1HPGDKDM4E
SCHEMBL5037838 0.88 ALDH1A1 (0.39) METCDK9ALDH1A1HPGDKDM4E
SCHEMBL5040821 0.88 ALDH1A1 (0.38) METCDK9ALDH1A1HPGDKDM4E
SCHEMBL5043039 0.88 KDM4E (0.40) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL5037742 0.88 MAPT (0.39) METCDK9ALDH1A1HPGDKDM4E

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 MET 294/4885CDK9 136/4885ACR 551/4885

“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.