SCHEMBL5040896

SCHEMBL5040896

CCOC(=O)CCCNC(=O)Nc1nc2cc(OS(=O)(=O)c3ccc(NC4CCCC4)cc3)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.42
CDK9 P50750 1/20 0.42
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 3/20 0.36
ENPP3 O14638 2/20 0.36
ENPP1 P22413 2/20 0.36
ENPP2 Q13822 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALOX5 P09917 2/20 0.35
EPHX2 P34913 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.34
ABL1 P00519 1/20 0.34
PDE2A O00408 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
P2RY12 Q9H244 1/20 0.34
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
SCHEMBL5037677 0.93 MET (0.45) METCDK9ENPP3ENPP1ENPP2
SCHEMBL5034028 0.91 MET (0.45) METCDK9ENPP3ENPP1ENPP2
SCHEMBL5036410 0.89 MET (0.46) METCDK9ENPP3ENPP1ENPP2
SCHEMBL5043016 0.88 MET (0.43) METCDK9ENPP3ENPP1ENPP2
SCHEMBL5040737 0.88 ABL1 (0.43) METCDK9ENPP3ENPP1ENPP2
SCHEMBL5043028 0.88 MET (0.44) METCDK9ENPP3ENPP1ENPP2
SCHEMBL5033535 0.86 MET (0.42) METCDK9ENPP3ENPP1ENPP2
SCHEMBL5033565 0.86 MET (0.55) METCDK9ALDH1A1ENPP3ENPP1
SCHEMBL5036424 0.86 MAPT (0.43) METCDK9MAPK1NPC1RAB9A
SCHEMBL5040930 0.86 MET (0.42) METCDK9ENPP3ENPP1ENPP2

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 136/4885MAPK1 2710/4885

“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.