SCHEMBL6017714

SCHEMBL6017714

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
POLB P06746 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
USP2 O75604 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ABL1 P00519 2/20 0.40
RAB9A P51151 1/20 0.39
GAA P10253 2/20 0.39
GLA P06280 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MET P08581 1/20 0.39
CDK9 P50750 1/20 0.39

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
SCHEMBL5033975 0.92 MET (0.40) ALDH1A1POLBKDM4EHPGDHSD17B10
SCHEMBL5043039 0.92 KDM4E (0.40) ALDH1A1POLBKDM4EHPGDHSD17B10
SCHEMBL5041033 0.92 MET (0.40) ALDH1A1POLBKDM4EHPGDHSD17B10
SCHEMBL5040821 0.91 ALDH1A1 (0.38) ALDH1A1POLBKDM4EHPGDHSD17B10
SCHEMBL5037918 0.90 MET (0.42) ALDH1A1POLBKDM4EHPGDHSD17B10
SCHEMBL14302866 0.90 TUBB4A (0.44) ALDH1A1POLBKDM4EHPGDHSD17B10
SCHEMBL5036471 0.90 MET (0.40) ALDH1A1POLBKDM4EHPGDHSD17B10
SCHEMBL5037947 0.89 NPC1 (0.42) ALDH1A1POLBKDM4EHPGDHSD17B10
SCHEMBL5042893 0.89 MET (0.38) ALDH1A1POLBKDM4EHPGDHSD17B10
SCHEMBL5040774 0.89 MET (0.38) ALDH1A1POLBKDM4EHPGDHSD17B10

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 4 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
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 ALDH1A1 1134/4885POLB 3183/4885KDM4E 1962/4885

“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.