SCHEMBL5034028

SCHEMBL5034028

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.45
CDK9 P50750 1/20 0.45
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
EPHX1 P07099 3/20 0.38
ENPP3 O14638 3/20 0.37
ENPP1 P22413 3/20 0.37
ENPP2 Q13822 2/20 0.37
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
TBXA2R P21731 3/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
DRD3 P35462 1/20 0.36
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
ABL1 P00519 1/20 0.36

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
SCHEMBL5036410 0.93 MET (0.46) METCDK9NPC1RAB9AENPP3
SCHEMBL5043016 0.92 MET (0.43) METCDK9NPC1RAB9AEPHX1
SCHEMBL5043028 0.92 MET (0.44) METCDK9NPC1RAB9AENPP3
SCHEMBL5040737 0.92 ABL1 (0.43) METCDK9NPC1RAB9AENPP3
SCHEMBL5037677 0.92 MET (0.45) METCDK9NPC1RAB9AENPP3
SCHEMBL5040896 0.91 MET (0.42) METCDK9NPC1RAB9AENPP3
SCHEMBL5033565 0.91 MET (0.55) METCDK9NPC1RAB9AENPP3
SCHEMBL5036424 0.90 MAPT (0.43) METCDK9NPC1RAB9AMAPT
SCHEMBL5040930 0.90 MET (0.42) METCDK9NPC1RAB9AENPP3
SCHEMBL5033985 0.90 MET (0.43) METCDK9NPC1RAB9AENPP3

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
US-7041668-B2 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2006-05-09 US claimed
US-20050014811-A1 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2005-01-20 US claimed
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 136/4885NPC1 3782/4885

“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.