SCHEMBL5033871

SCHEMBL5033871

CCN1CCCC1CNC(=O)Nc1nc2cc(OS(=O)(=O)c3ccc(NCC4CCCO4)cc3)ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.39
THRB P10828 1/20 0.39
MCHR1 Q99705 2/20 0.38
MCHR2 Q969V1 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RAB9A P51151 1/20 0.38
DRD2 P14416 3/20 0.37
DRD3 P35462 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
SLC6A4 P31645 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
SCHEMBL6017714 0.89 ALDH1A1 (0.40) ALDH1A1MAPTKDM4ENPC1USP2
SCHEMBL5037703 0.86 NAMPT (0.42) NAMPTTHRBMCHR1MCHR2ALDH1A1
SCHEMBL5033975 0.86 MET (0.40) ALDH1A1MAPTKDM4ENPC1USP2
SCHEMBL5043039 0.86 KDM4E (0.40) ALDH1A1MAPTKDM4ENPC1USP2
SCHEMBL5042893 0.86 MET (0.38) ALDH1A1MAPTKDM4ENPC1USP2
SCHEMBL5041033 0.85 MET (0.40) ALDH1A1MAPTKDM4ENPC1USP2
SCHEMBL5037838 0.85 ALDH1A1 (0.39) ALDH1A1MAPTKDM4ENPC1USP2
SCHEMBL5040821 0.85 ALDH1A1 (0.38) ALDH1A1MAPTKDM4ENPC1USP2
SCHEMBL5037742 0.85 MAPT (0.39) ALDH1A1MAPTKDM4ENPC1USP2
SCHEMBL5037918 0.84 MET (0.42) ALDH1A1MAPTKDM4ENPC1USP2

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.