SCHEMBL4720141

SCHEMBL4720141

CC(C)COc1ccc(-c2nc3c(N)ncnc3[nH]2)cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.59
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
NFKB2 Q00653 1/20 0.40
KMT2A Q03164 1/20 0.40
RELA Q04206 1/20 0.40

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
SCHEMBL4718705 0.89 XDH (0.56) XDHSMN1; SMN2MAPTRECQL
SCHEMBL4720233 0.89 XDH (0.56) XDHMAPTRECQLMEN1ALDH1A1
SCHEMBL4720144 0.87 XDH (0.58) XDHNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4720237 0.80 XDH (0.54) XDH
SCHEMBL4718708 0.79 XDH (0.53) XDHSMN1; SMN2MAPTRECQL
SCHEMBL4722573 0.77 XDH (0.53) XDHSMN1; SMN2MAPTRECQLMEN1
SCHEMBL4718042 0.75 PDE5A (0.57) XDHMAPTRECQL
SCHEMBL27613396 0.74 XDH (0.59) XDHNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4718103 0.74 XDH (0.54) XDHSMN1; SMN2MAPTRECQLMEN1
SCHEMBL27594644 0.73 XDH (0.58) XDH

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 1/4885NPC1 835/4885RAB9A 4676/4885
US-20070265283-A1 Xanthine Oxidase Inhibitor XDH, CBR1, NOX1 XDH 1/4885NPC1 816/4885RAB9A 4682/4885

“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.