SCHEMBL6093597

SCHEMBL6093597

CCOC(=O)c1nc(N2CCOCC2)n(C)c(=O)c1O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.45
AKT1 P31749 2/20 0.45
LMNA P02545 2/20 0.43
PIK3CA P42336 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MTOR P42345 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
MAPK1 P28482 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 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
SCHEMBL6094714 0.83 MAPT (0.40) HTTALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL6087140 0.83 MAPK1 (0.40) HTTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL6087462 0.82 HTT (0.37) HTTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL6094150 0.82 MAPT (0.38) HTTALDH1A1L3MBTL1GAALMNA
SCHEMBL6087943 0.81 LMNA (0.36) HTTALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL2961593 0.80 TDP2 (0.39) HTTALDH1A1KDM4EL3MBTL1AKT1
SCHEMBL6017769 0.80 ALDH1A1 (0.49) ALDH1A1KDM4EL3MBTL1AKT1LMNA
SCHEMBL6086735 0.79 MAPK1 (0.36) HTTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL6093771 0.79 LMNA (0.35) HTTALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL6087228 0.79 CYP11B1 (0.39) HTTALDH1A1LMNAMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135467-B2 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-14 US disclosed
US-20040204498-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US disclosed
WO-2004062613-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-29 WO 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-20040204498-A1 HIV integrase inhibitors IMPDH1, TYMP, REV1 HTT 4761/4885ALDH1A1 483/4885KDM4E 1484/4885

“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.