SCHEMBL5555815

SCHEMBL5555815

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
GAA P10253 3/20 0.35
HSD17B10 Q99714 3/20 0.35
GLA P06280 2/20 0.35
TSHR P16473 1/20 0.35
TP53 P04637 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
MAOB P27338 2/20 0.33
FOLH1 Q04609 1/20 0.33
GFER P55789 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIRT2 Q8IXJ6 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
SCHEMBL5551967 0.87 KDM4E (0.38) HPGDKDM4EALDH1A1GAAHSD17B10
SCHEMBL5555926 0.83 PTPN1 (0.37) KDM4EGAAMEN1NPC1LMNA
SCHEMBL5276727 0.80 MAPT (0.44) ALDH1A1NPSR1MEN1KMT2AFOLH1
SCHEMBL5279556 0.80 NPSR1 (0.47) KDM4EALDH1A1CA1CA2NPSR1
SCHEMBL5557521 0.79 PTPN1 (0.37) GAA
SCHEMBL5551651 0.79 L3MBTL1 (0.38) HPGDKDM4EALDH1A1GAAHSD17B10
SCHEMBL5276721 0.78 ALDH1A1 (0.37) HPGDKDM4EALDH1A1GAAHSD17B10
Bicarbonate SCHEMBL5276729 0.78 GAA (0.39) HPGDKDM4EALDH1A1GAAHSD17B10
SCHEMBL5274959 0.78 CNR2 (0.38) HPGDKDM4EALDH1A1GAAHSD17B10
SCHEMBL5557571 0.78 KDM4E (0.43) HPGDKDM4EALDH1A1GAAHSD17B10

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

“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.