SCHEMBL4718892

SCHEMBL4718892

COC(=O)c1ccc(OCC(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.67
PELP1 Q8IZL8 1/20 0.67
ALDH1A1 P00352 2/20 0.55
HPGD P15428 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
VCAM1 P19320 1/20 0.53
MYC P01106 1/20 0.53
MAX P61244 1/20 0.53
KMT2A Q03164 2/20 0.52
XDH P47989 1/20 0.48
EP300 Q09472 1/20 0.48
HIF1A Q16665 1/20 0.48
MEN1 O00255 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL5155524 0.90 AR (0.55) ARPELP1ALDH1A1HPGDNPSR1
SCHEMBL2773030 0.90 AR (0.55) ARPELP1ALDH1A1MYCMAX
SCHEMBL28876130 0.87 ALDH1A1 (0.53) ARPELP1ALDH1A1HPGDNPSR1
SCHEMBL28451159 0.87 MYC (0.58) ARPELP1ALDH1A1MYCMAX
SCHEMBL17395859 0.86 ALDH1A1 (0.59) ARPELP1ALDH1A1HPGDMYC
SCHEMBL4717487 0.86 MYC (0.64) MYCMAXXDHEP300HIF1A
SCHEMBL4717489 0.85 PDK1 (0.52) ARPELP1MYCMAXXDH
SCHEMBL17512389 0.85 GAA (0.64) ALDH1A1HPGDNPSR1VCAM1KMT2A
SCHEMBL2810372 0.83 AR (0.49) ARPELP1ALDH1A1MYCMAX
SCHEMBL5913915 0.83 ALDH1A1 (0.56) ALDH1A1HPGDNPSR1VCAM1KMT2A

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 AR 1893/4885PELP1 2697/4885ALDH1A1 706/4885
US-20070265283-A1 Xanthine Oxidase Inhibitor XDH, CBR1, NOX1 AR 1841/4885PELP1 2667/4885ALDH1A1 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.