SCHEMBL4717757

SCHEMBL4717757

CC(C)COc1ccc(-c2nc3c(O)cccc3o2)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.48
MAPT P10636 3/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
S1PR1 P21453 2/20 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
SCHEMBL4722573 0.78 XDH (0.53) XDHMAPTALDH1A1
SCHEMBL4718942 0.77 XDH (0.53) XDHMAPT
SCHEMBL4715888 0.75 CETP (0.49) XDHMAPT
SCHEMBL29160382 0.70 ELANE (0.45) MAPTNPC1RAB9A
SCHEMBL4720233 0.69 XDH (0.56) XDHMAPTALDH1A1
SCHEMBL4720977 0.68 MYC (0.56) MAPTALDH1A1NPC1RAB9A
SCHEMBL28250432 0.68 XDH (0.64) XDH
SCHEMBL6683075 0.68 NPC1 (0.68) MAPTALDH1A1NPC1RAB9A
SCHEMBL4720237 0.67 XDH (0.54) XDH
SCHEMBL6664344 0.67 MAPT (0.45) MAPTALDH1A1NPC1RAB9AS1PR1

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 1/4885MAPT 4473/4885ALDH1A1 706/4885
US-20070265283-A1 Xanthine Oxidase Inhibitor XDH, CBR1, NOX1 XDH 1/4885MAPT 4411/4885ALDH1A1 671/4885

“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.