SCHEMBL5040704

SCHEMBL5040704

O=C(NCCN1CCOCC1)Nc1nc2ccc(OS(=O)(=O)c3ccc(NCCCN4CCCC4=O)cc3)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.44
CDK9 P50750 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 3/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.38
RAB9A P51151 2/20 0.38
PRMT3 O60678 1/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
KDR P35968 1/20 0.37
TEK Q02763 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL5037750 0.92 MET (0.51) METCDK9SMN1; SMN2ALDH1A1KMT2A
SCHEMBL5040792 0.90 MET (0.49) METCDK9SMN1; SMN2ALDH1A1TSHR
SCHEMBL5036827 0.90 MET (0.49) METCDK9SMN1; SMN2ALDH1A1TSHR
SCHEMBL5036676 0.88 MET (0.49) METCDK9SMN1; SMN2ALDH1A1TSHR
SCHEMBL5035977 0.86 MET (0.53) METCDK9KMT2AMEN1PRMT3
SCHEMBL5033616 0.86 MET (0.48) METCDK9SMN1; SMN2ALDH1A1TSHR
SCHEMBL5033547 0.85 MET (0.53) METCDK9KMT2AMEN1PRMT3
SCHEMBL5040725 0.85 MET (0.48) METCDK9ALDH1A1KMT2ATSHR
SCHEMBL14300260 0.85 MET (0.45) METCDK9SMN1; SMN2ALDH1A1TSHR
SCHEMBL7195188 0.84 MET (0.42) METCDK9SMN1; SMN2ALDH1A1TSHR

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 MET 294/4885CDK9 136/4885SMN1; SMN2 2426/4885

“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.