SCHEMBL1169995

SCHEMBL1169995

CCOC(=O)c1nc(C2(OCCCO)CCC2)[nH]c(=O)c1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
KDM4E B2RXH2 6/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALOX15 P16050 1/20 0.35
ALDH1A1 P00352 4/20 0.34
GAA P10253 3/20 0.34
HPGD P15428 3/20 0.34
RNASEH1 O60930 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 2/20 0.32
KDM5A P29375 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
ERCC1 P07992 1/20 0.31
FEN1 P39748 1/20 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
SCHEMBL1170226 0.93 LMNA (0.36) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL12864836 0.91 LMNA (0.36) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL4830744 0.91 KDM4E (0.33) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL14064602 0.89 KDM4E (0.38) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL1169665 0.84 KDM4E (0.34) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL1169610 0.80 LMNA (0.33) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL2080125 0.80 CYP3A4 (0.35) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL2079178 0.80 ALDH1A1 (0.34) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL2079819 0.79 MAPT (0.34) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL2079609 0.78 GAA (0.38) MEN1KMT2AALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7893055-B2 pyrimido[2,1-c][1,4]oxazine-2-carboxamide, N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-4,6,7,9-tetrahydro-3-hydroxy-9,9-dimethyl-4-oxo-; inhibits HIV integrase and prevent viral integration into human DNA BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-22 US disclosed
US-7893055-B2 pyrimido[2,1-c][1,4]oxazine-2-carboxamide, N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-4,6,7,9-tetrahydro-3-hydroxy-9,9-dimethyl-4-oxo-; inhibits HIV integrase and prevent viral integration into human DNA BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-22 US disclosed
US-7893055-B2 pyrimido[2,1-c][1,4]oxazine-2-carboxamide, N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-4,6,7,9-tetrahydro-3-hydroxy-9,9-dimethyl-4-oxo-; inhibits HIV integrase and prevent viral integration into human DNA BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-22 US disclosed
EP-1745052-B9 HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2009-10-28 EP disclosed
US-7419969-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
US-7419969-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
EP-1745052-B1 HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2008-08-20 EP disclosed
US-20080004265-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-01-03 US disclosed
US-20080004265-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-01-03 US disclosed
US-20080004265-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-01-03 US disclosed
WO-2008002959-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-03 WO disclosed
US-7273859-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
US-7273859-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
WO-2007058646-A1 HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-24 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-20080004265-A1 HIV Integrase Inhibitors TYMP, POLN, IMPDH1 LMNA 929/4885KDM4E 701/4885MAPT 3221/4885

“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.