SCHEMBL63280

SCHEMBL63280

CCOC(=O)c1nc(C(C2CCC(CO)C2)N(C)CC(=O)c2ccccc2)[nH]c(=O)c1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNASEH1 O60930 1/20 0.35
ERCC1 P07992 1/20 0.32
FEN1 P39748 1/20 0.32
ERCC4 Q92889 1/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 2/20 0.32
MEN1 O00255 1/20 0.32
DRD4 P21917 1/20 0.32
ALDH1A1 P00352 4/20 0.32
HPGD P15428 2/20 0.32
GAA P10253 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
OPRM1 P35372 2/20 0.31
OPRK1 P41145 2/20 0.31
OGFRL1 Q5TC84 2/20 0.31
OPRD1 P41143 1/20 0.31
CASP3 P42574 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
SCHEMBL62609 0.68 ERCC1 (0.38) RNASEH1ERCC1ERCC4KMT2AMEN1
SCHEMBL86983 0.68 ERCC1 (0.38) RNASEH1ERCC1ERCC4KMT2AMEN1
SCHEMBL87342 0.65 ERCC1 (0.41) RNASEH1ERCC1ERCC4ALDH1A1HPGD
SCHEMBL62403 0.65 ERCC1 (0.41) RNASEH1ERCC1ERCC4ALDH1A1HPGD
SCHEMBL51895 0.62 RNASEH1 (0.42) RNASEH1ERCC1FEN1ERCC4KMT2A
SCHEMBL13447864 0.58 RNASEH1 (0.52) RNASEH1ALDH1A1HPGDGAAPOLB
SCHEMBL52120 0.57 LMNA (0.37) RNASEH1ERCC1ERCC4KMT2AMEN1
SCHEMBL63252 0.57 LMNA (0.37) RNASEH1ERCC1ERCC4KMT2AMEN1
SCHEMBL5485304 0.56 KDM4E (0.42) RNASEH1ERCC1FEN1ERCC4KMT2A
SCHEMBL5881072 0.56 EGFR (0.51) KMT2ANPC1MEN1ALDH1A1KDM4E

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-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 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 (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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG RNASEH1 1285/4885ERCC1 236/4885FEN1 27/4885

“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.