SCHEMBL4720144

SCHEMBL4720144

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.58
PI4KA P42356 1/20 0.45
PI4K2B Q8TCG2 1/20 0.45
PI4K2A Q9BTU6 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
PRMT5 O14744 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL4720237 0.89 XDH (0.54) XDH
SCHEMBL4718708 0.88 XDH (0.53) XDHMAPTRECQLSMN1; SMN2
SCHEMBL4720141 0.87 XDH (0.59) XDHALDH1A1NPC1LMNAMAPT
SCHEMBL27594644 0.82 XDH (0.58) XDH
SCHEMBL4720233 0.80 XDH (0.56) XDHALDH1A1MAPTRECQL
SCHEMBL4718705 0.80 XDH (0.56) XDHMAPTRECQLSMN1; SMN2
SCHEMBL4718042 0.78 PDE5A (0.57) XDHMAPTRECQL
SCHEMBL27613396 0.73 XDH (0.59) XDHALDH1A1NPC1LMNAMAPT
SCHEMBL4718103 0.73 XDH (0.54) XDHALDH1A1MAPTRECQLSMN1; SMN2
SCHEMBL4722573 0.72 XDH (0.53) XDHALDH1A1MAPTRECQLSMN1; SMN2

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 1/4885PI4KA 4330/4885PI4K2B 4248/4885
US-20070265283-A1 Xanthine Oxidase Inhibitor XDH, CBR1, NOX1 XDH 1/4885PI4KA 4345/4885PI4K2B 4257/4885

“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.