SCHEMBL5551967

SCHEMBL5551967

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 5/20 0.38
GAA P10253 4/20 0.38
HSD17B10 Q99714 4/20 0.38
GLA P06280 3/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 2/20 0.36
MAOB P27338 2/20 0.33
ALOX5 P09917 2/20 0.33
BRD4 O60885 1/20 0.33
KMT2A Q03164 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33

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
SCHEMBL5276721 0.92 ALDH1A1 (0.37) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL5551651 0.92 L3MBTL1 (0.38) KDM4EALDH1A1HPGDGAAHSD17B10
Bicarbonate SCHEMBL5276729 0.90 GAA (0.39) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL5555850 0.90 ALOX5 (0.35) KDM4EALDH1A1HPGDGAANPSR1
SCHEMBL5555815 0.87 HPGD (0.35) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL5557642 0.81 MAPT (0.40) ALDH1A1NPSR1KMT2A
SCHEMBL5555947 0.81 LIPG (0.35) KDM4EALDH1A1GAANPSR1BRD4
SCHEMBL19576767 0.80 MAPT (0.39) ALDH1A1NPSR1KMT2A
SCHEMBL5273307 0.80 POLB (0.39) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL15118466 0.79 KLK7 (0.37) NPSR1KMT2A

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 1907/4885ALDH1A1 2509/4885HPGD 2/4885
US-20070003484-A1 Hydroxypyridinone derivatives, metal complexes thereof and the use thereof for preparing conjugates with biomolecules HPD, HAMP, KLK3 KDM4E 1389/4885ALDH1A1 2908/4885HPGD 4/4885

“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.