SCHEMBL5557697

SCHEMBL5557697

COCCn1ccc(C(=O)NCCN(CCNC(=O)c2ccn(CCOC)c(=O)c2OCc2ccccc2)C(=O)C(C)(CC(=O)OC(C)(C)C)NC(=O)c2ccn(CCOC)c(=O)c2OCc2ccccc2)c(OCc2ccccc2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.34
MAOB P27338 2/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
GLA P06280 1/20 0.32
TSHR P16473 1/20 0.32
USP2 O75604 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TP53 P04637 1/20 0.32
BRD4 O60885 1/20 0.31
GHSR Q92847 2/20 0.31

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
SCHEMBL5552085 0.92 ALDH1A1 (0.35) EGLN1MAOBKDM4EALDH1A1GAA
SCHEMBL5557571 0.78 KDM4E (0.43) MAOBKDM4EALDH1A1GAAHPGD
SCHEMBL5551651 0.74 L3MBTL1 (0.38) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL5555815 0.73 HPGD (0.35) MAOBKDM4EALDH1A1GAAHPGD
Bicarbonate SCHEMBL5276729 0.72 GAA (0.39) EGLN1KDM4EALDH1A1GAAHPGD
SCHEMBL5555926 0.72 PTPN1 (0.37) MAOBKDM4EGAA
SCHEMBL5276727 0.71 MAPT (0.44) ALDH1A1NPSR1
SCHEMBL5272450 0.71 PTPN1 (0.39) KDM4E
SCHEMBL5276721 0.71 ALDH1A1 (0.37) EGLN1MAOBKDM4EALDH1A1GAA
SCHEMBL5279556 0.71 NPSR1 (0.47) KDM4EALDH1A1NPSR1

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 EGLN1 889/4885MAOB 1941/4885KDM4E 1907/4885
US-20070003484-A1 Hydroxypyridinone derivatives, metal complexes thereof and the use thereof for preparing conjugates with biomolecules HPD, HAMP, KLK3 EGLN1 921/4885MAOB 2771/4885KDM4E 1389/4885

“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.