SCHEMBL4718708

SCHEMBL4718708

CC(C)COc1ccc(-c2nc3ncnc(Cl)c3[nH]2)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.53
ADORA1 P30542 1/20 0.39
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
DUSP3 P51452 1/20 0.38
BLM P54132 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4720237 0.89 XDH (0.54) XDH
SCHEMBL4720144 0.88 XDH (0.58) XDHMAPTRECQLSMN1; SMN2
SCHEMBL4718705 0.86 XDH (0.56) XDHMAPTTHRBHPGDHTT
SCHEMBL27594644 0.82 XDH (0.58) XDH
SCHEMBL4720141 0.79 XDH (0.59) XDHMAPTRECQLSMN1; SMN2
SCHEMBL4720233 0.78 XDH (0.56) XDHMAPTRECQLBLMTDP1
SCHEMBL4718042 0.78 PDE5A (0.57) XDHMAPTRECQLBLMTDP1
SCHEMBL27613396 0.73 XDH (0.59) XDHMAPTRECQLSMN1; SMN2
SCHEMBL4718103 0.73 XDH (0.54) XDHMAPTTHRBHPGDHTT
SCHEMBL4722573 0.72 XDH (0.53) XDHMAPTTHRBHPGDHTT

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 8 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
CN-101092400-A Xanthine oxidase inhibitor NIPPON CHEMIPHAR CO (JP) 2007-12-26 CN disclosed
US-20070265283-A1 Xanthine Oxidase Inhibitor NIPPON CHEMIPHAR CO., LTD. 2007-11-15 US disclosed
CN-100338040-C xanthine oxidase inhibiting compounds NIPPON CHEMIPHAR CO (JP) 2007-09-19 CN disclosed
US-7253154-B2 Substituted thiazolopyrimidines as xanthine oxidase inhibitors NIPPON CHEMIPHAR CO., LTD. (JP) 2007-08-07 US disclosed
CN-1615299-A Xanthine oxidase inhibitors NIPPON CHEMIPHAR CO (JP) 2005-05-11 CN 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 1/4885ADORA1 358/4885MAPT 4473/4885
US-20070265283-A1 Xanthine Oxidase Inhibitor XDH, CBR1, NOX1 XDH 1/4885ADORA1 358/4885MAPT 4411/4885

“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.