SCHEMBL4718103

SCHEMBL4718103

CC(C)COc1ccc(-c2nc3ccncc3[nH]2)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.54
ALDH1A1 P00352 3/20 0.53
HPGD P15428 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 3/20 0.45
RECQL P46063 2/20 0.45
BLM P54132 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
THRB P10828 1/20 0.44
HTT P42858 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AURKA O14965 1/20 0.43

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
SCHEMBL4718042 0.81 PDE5A (0.57) XDHMAPTRECQLBLMTDP1
SCHEMBL27613396 0.79 XDH (0.59) XDHALDH1A1MAPTRECQLMEN1
SCHEMBL4722573 0.77 XDH (0.53) XDHALDH1A1HPGDMAPTRECQL
SCHEMBL4676766 0.76 XDH (0.49) XDHSMN1; SMN2
SCHEMBL5827251 0.75 S1PR1 (0.55) XDHALDH1A1
SCHEMBL4720237 0.74 XDH (0.54) XDH
SCHEMBL4720141 0.74 XDH (0.59) XDHALDH1A1MAPTRECQLMEN1
SCHEMBL4720144 0.73 XDH (0.58) XDHALDH1A1MAPTRECQLSMN1; SMN2
SCHEMBL4720233 0.73 XDH (0.56) XDHALDH1A1MAPTRECQLBLM
SCHEMBL4718708 0.73 XDH (0.53) XDHHPGDMAPTRECQLBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1452528-B1 XANTHINE OXIDASE INHIBITORS NIPPON CHEMIPHAR CO (JP) 2008-08-13 EP disclosed
US-20070265283-A1 Xanthine Oxidase Inhibitor NIPPON CHEMIPHAR CO., LTD. 2007-11-15 US disclosed
US-7253154-B2 Substituted thiazolopyrimidines as xanthine oxidase inhibitors NIPPON CHEMIPHAR CO., LTD. (JP) 2007-08-07 US disclosed
US-20050090472-A1 Xanthine oxidase inhibitors NIPPON CHEMIPHAR CO., LTD. (JP) 2005-04-28 US disclosed
EP-1452528-A1 XANTHINE OXIDASE INHIBITORS NIPPON CHEMIPHAR CO., LTD. (JP) 2004-09-01 EP 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-20050090472-A1 Xanthine oxidase inhibitors XDH, CBR1, NOX1 XDH 1/4885ALDH1A1 706/4885HPGD 621/4885
US-20070265283-A1 Xanthine Oxidase Inhibitor XDH, CBR1, NOX1 XDH 1/4885ALDH1A1 671/4885HPGD 644/4885

“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.