SCHEMBL6018023

SCHEMBL6018023

Nc1nc2ccc(OS(=O)(=O)c3ccc(NC4CCCC4)cc3)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
RIPK1 Q13546 2/20 0.40
HTR6 P50406 4/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
FURIN P09958 1/20 0.39
F10 P00742 1/20 0.38
ENPP3 O14638 6/20 0.38
ENPP1 P22413 5/20 0.38
ENPP2 Q13822 4/20 0.38
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
APAF1 O14727 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL6017758 0.92 ABL1 (0.39) IDO1HTR6ABL1RIN1ENPP3
SCHEMBL5036227 0.80 RAB9A (0.53) RIPK1HTR6ABL1ENPP3ENPP1
SCHEMBL6018083 0.79 ENPP3 (0.50) ENPP3ENPP1ENPP2
SCHEMBL10732064 0.79 PIK3CA (0.47) IDO1ABL1FURINENPP3ENPP1
SCHEMBL5040870 0.76 RAB9A (0.53) RIPK1HTR6ABL1ALDH1A1KDM4E
SCHEMBL5036353 0.76 ENPP3 (0.38) HTR6ENPP3ENPP1ENPP2MAPT
SCHEMBL5037857 0.75 ENPP3 (0.40) RIPK1HTR6ENPP3ENPP1ENPP2
SCHEMBL5037793 0.75 ENPP3 (0.39) ENPP3ENPP1ENPP2MAPT
SCHEMBL5042961 0.75 HTR6 (0.45) HTR6TDP1KDM4EMEN1BLM
SCHEMBL5035964 0.75 TP53 (0.42) RIPK1HTR6ALDH1A1MAPTKMT2A

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 2 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 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 IDO1 232/4885RIPK1 2780/4885HTR6 792/4885

“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.