SCHEMBL5040823

SCHEMBL5040823

CN(C(=O)NC(N)=O)c1nc2cc(OS(=O)(=O)c3ccc(NCC4CCCO4)cc3)ccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 9/20 0.38
HPGD P15428 7/20 0.38
HSD17B10 Q99714 6/20 0.38
ALOX15 P16050 2/20 0.38
KMT2A Q03164 3/20 0.38
BRD4 O60885 1/20 0.37
MAPT P10636 5/20 0.36
NPC1 O15118 3/20 0.36
USP2 O75604 2/20 0.36
POLB P06746 1/20 0.36
CXCR4 P61073 1/20 0.36
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 2/20 0.36

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
SCHEMBL6018111 0.90 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL5040705 0.83 ENPP3 (0.36) KMT2AMAPTHTTSMN1; SMN2LMNA
SCHEMBL6018581 0.81 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL14302866 0.80 TUBB4A (0.44) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL5043039 0.80 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL5036659 0.79 SMN1; SMN2 (0.41) KDM4EALDH1A1NPC1POLBHTT
SCHEMBL5040769 0.79 SMN1; SMN2 (0.41) KDM4EALDH1A1NPC1POLBHTT
SCHEMBL5042883 0.79 SMN1; SMN2 (0.41) KDM4EALDH1A1NPC1POLBHTT
SCHEMBL5040821 0.79 ALDH1A1 (0.38) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL6017714 0.79 ALDH1A1 (0.40) KDM4EALDH1A1HPGDHSD17B10KMT2A

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 KDM4E 1962/4885ALDH1A1 1134/4885HPGD 3409/4885

“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.