SCHEMBL6017758

SCHEMBL6017758

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
ENPP3 O14638 10/20 0.38
ENPP1 P22413 9/20 0.38
ENPP2 Q13822 7/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
APAF1 O14727 1/20 0.37
ALDH1A1 P00352 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
TDP1 Q9NUW8 1/20 0.37
IDO1 P14902 1/20 0.37
HTR6 P50406 2/20 0.37
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL6018023 0.92 IDO1 (0.43) ABL1RIN1ENPP3ENPP1ENPP2
SCHEMBL5037857 0.83 ENPP3 (0.40) ENPP3ENPP1ENPP2KDM4EMEN1
SCHEMBL5037793 0.83 ENPP3 (0.39) ENPP3ENPP1ENPP2MAPTHTT
SCHEMBL5042961 0.82 HTR6 (0.45) KDM4EMEN1BLMKMT2ATDP1
SCHEMBL5037789 0.82 ENPP3 (0.37) ENPP3ENPP1ENPP2MAPTHSD17B10
SCHEMBL5033423 0.82 ENPP3 (0.40) ENPP3ENPP1ENPP2MAPTKDM4E
SCHEMBL5042870 0.82 ENPP3 (0.48) ENPP3ENPP1ENPP2TDP1
SCHEMBL5036480 0.82 NPC1 (0.53) ENPP3ENPP1ENPP2MAPTALDH1A1
SCHEMBL7145205 0.81 ENPP3 (0.36) ENPP3ENPP1ENPP2MAPTHTT
SCHEMBL5037777 0.81 ENPP3 (0.52) ENPP3ENPP1ENPP2TDP1

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 ABL1 83/4885RIN1 1508/4885ENPP3 2927/4885

“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.