SCHEMBL5037703

SCHEMBL5037703

CCN1CCCC1CNC(=O)Nc1nc2cc(OS(=O)(=O)c3ccc(NC4CCCC4)cc3)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.42
THRB P10828 1/20 0.42
MCHR1 Q99705 2/20 0.41
MCHR2 Q969V1 1/20 0.41
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR2B P41595 1/20 0.40
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CA2 P00918 2/20 0.40
DRD1 P21728 2/20 0.40
DRD4 P21917 2/20 0.40
CA9 Q16790 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40

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
SCHEMBL5040737 0.87 ABL1 (0.43) RAB9AMETCDK9
SCHEMBL5033871 0.86 NAMPT (0.39) NAMPTTHRBMCHR1MCHR2DRD2
SCHEMBL5033520 0.86 NAMPT (0.42) NAMPTTHRBMCHR1MCHR2DRD2
SCHEMBL5034028 0.84 MET (0.45) DRD3SLC6A4MAPTRAB9AMET
SCHEMBL5043028 0.84 MET (0.44) MAPTRAB9AMETCDK9
SCHEMBL5043094 0.84 GSK3A (0.43) HTR2BRAB9AMETCDK9
SCHEMBL5033800 0.84 MET (0.41) NAMPTKMT2AMEN1HRH3CA2
SCHEMBL5037847 0.83 MET (0.42) CA2CA9CA12CA1MAPT
SCHEMBL5036693 0.83 MET (0.41) MAPTRAB9AMETCDK9
SCHEMBL5033517 0.83 NPC1 (0.40) MAPTRAB9AMETCDK9

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 NAMPT 4247/4885THRB 2144/4885MCHR1 3132/4885

“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.