SCHEMBL5557571

SCHEMBL5557571

COCCn1ccc(C(=O)NCCNCCNC(=O)c2ccn(CCOC)c(=O)c2OCc2ccccc2)c(OCc2ccccc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 2/20 0.41
BRD4 O60885 1/20 0.40
MAOB P27338 2/20 0.40
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 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
SCHEMBL5276313 0.82 ATM (0.39) KDM4ENPC1MEN1KMT2ALMNA
SCHEMBL8333545 0.81 LIPG (0.43) KDM4ENPC1MEN1KMT2ALMNA
SCHEMBL5552085 0.80 ALDH1A1 (0.35) KDM4ENPC1MEN1KMT2ALMNA
Bicarbonate SCHEMBL5276729 0.79 GAA (0.39) KDM4EMEN1KMT2ALMNATP53
SCHEMBL5276721 0.78 ALDH1A1 (0.37) KDM4EMEN1KMT2ATP53BRD4
SCHEMBL5551967 0.78 KDM4E (0.38) KDM4EKMT2ATP53BRD4MAOB
SCHEMBL5557697 0.78 EGLN1 (0.34) KDM4ETP53BRD4MAOBALDH1A1
SCHEMBL5555815 0.78 HPGD (0.35) KDM4ENPC1MEN1KMT2ALMNA
SCHEMBL6858810 0.77 LIPG (0.47) KDM4ENPC1MEN1KMT2ATP53
SCHEMBL13339884 0.76 SPHK2 (0.48) KDM4ENPC1MEN1KMT2ALMNA

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-20070003484-A1 Hydroxypyridinone derivatives, metal complexes thereof and the use thereof for preparing conjugates with biomolecules SCHERING AG (DE) 2007-01-04 US disclosed
US-20060292079-A1 Conjugates of hydroxypyridinone derivative metal complexes with biomolecules and their use for MRI diagnosis EPIX PHARMACEUTICALS, INC. 2006-12-28 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 (2 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-20060292079-A1 Conjugates of hydroxypyridinone derivative metal complexes with biomolecules and their use for MRI diagnosis KLK3, HPGD, HAMP KDM4E 1907/4885NPC1 4196/4885MEN1 61/4885
US-20070003484-A1 Hydroxypyridinone derivatives, metal complexes thereof and the use thereof for preparing conjugates with biomolecules HPD, HAMP, KLK3 KDM4E 1389/4885NPC1 4437/4885MEN1 77/4885

“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.