SCHEMBL5042893

SCHEMBL5042893

O=C(NCCN1CCCC1)Nc1nc2cc(OS(=O)(=O)c3ccc(NCC4CCCO4)cc3)ccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.38
CDK9 P50750 1/20 0.38
ALDH1A1 P00352 7/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
TNK2 Q07912 3/20 0.37
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
NPC1 O15118 2/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 3/20 0.35
RAB9A P51151 1/20 0.35
GLA P06280 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL5037838 0.99 ALDH1A1 (0.39) METCDK9ALDH1A1MAPTGAA
SCHEMBL5042953 0.97 ALDH1A1 (0.41) METCDK9ALDH1A1MAPTGAA
SCHEMBL5037742 0.96 MAPT (0.39) METCDK9ALDH1A1MAPTGAA
SCHEMBL5033975 0.92 MET (0.40) METCDK9ALDH1A1MAPTGAA
SCHEMBL5036210 0.92 MET (0.39) METCDK9ALDH1A1MAPTGAA
SCHEMBL5041033 0.91 MET (0.40) METCDK9ALDH1A1MAPTGAA
SCHEMBL7049332 0.90 ENPP3 (0.35) METCDK9ALDH1A1TNK2LMNA
SCHEMBL5037918 0.90 MET (0.42) METCDK9ALDH1A1MAPTGAA
SCHEMBL5036471 0.89 MET (0.40) METCDK9ALDH1A1MAPTGAA
SCHEMBL6017714 0.89 ALDH1A1 (0.40) METCDK9ALDH1A1MAPTGAA

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 136/4885ALDH1A1 1134/4885

“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.