SCHEMBL6018581

SCHEMBL6018581

O=CN(c1nc2cc(OS(=O)(=O)c3ccc(NCC4CCCO4)cc3)ccc2[nH]1)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.39
CXCR4 P61073 1/20 0.37
NPC1 O15118 3/20 0.37
BRD4 O60885 1/20 0.36
LMNA P02545 4/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 2/20 0.35
POLB P06746 2/20 0.34
GLA P06280 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
USP2 O75604 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL5141386 0.85 HTR6 (0.34) BRD4
SCHEMBL6018111 0.84 KDM4E (0.40) KDM4ENPC1BRD4LMNAHTT
SCHEMBL7044189 0.84 ENPP3 (0.33) KDM4EHTTMAPTALDH1A1
SCHEMBL5036606 0.83 ENPP3 (0.33) KDM4ELMNAHTTMAPTALDH1A1
SCHEMBL6018097 0.82 ATM (0.35) KDM4ELMNAKMT2AMEN1MAPT
SCHEMBL6018120 0.82 ENPP3 (0.30)
SCHEMBL5037949 0.82 CNR2 (0.33) LMNAHSD17B10
SCHEMBL6017806 0.82 ENPP3 (0.32)
SCHEMBL5040823 0.81 KDM4E (0.38) KDM4ECXCR4NPC1BRD4LMNA
SCHEMBL6505002 0.81 ALDH1A1 (0.39) KDM4ENPC1BRD4LMNAHTT

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 KDM4E 1962/4885CXCR4 2293/4885NPC1 3782/4885

“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.