SCHEMBL4720977

SCHEMBL4720977

CC(C)COc1ccc(C(=O)Nc2c(O)cccc2O)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 4/20 0.56
MAX P61244 3/20 0.56
AR P10275 1/20 0.55
PELP1 Q8IZL8 1/20 0.55
GAA P10253 1/20 0.54
POLB P06746 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
EP300 Q09472 1/20 0.52
HIF1A Q16665 1/20 0.52
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL28451159 0.84 MYC (0.58) MYCMAXARPELP1GAA
SCHEMBL4716592 0.82 MYC (0.51) MYCMAXARPELP1GAA
SCHEMBL4718922 0.81 AR (0.61) MYCMAXARPELP1GAA
SCHEMBL4718859 0.81 MYC (0.52) MYCMAXARPELP1GAA
SCHEMBL4718892 0.79 AR (0.67) MYCMAXARPELP1SMN1; SMN2
SCHEMBL4717487 0.79 MYC (0.64) MYCMAXEP300HIF1ATSHR
SCHEMBL17395859 0.79 ALDH1A1 (0.59) MYCMAXARPELP1POLB
SCHEMBL4718482 0.79 GAA (0.58) MYCMAXARPELP1GAA
SCHEMBL5429658 0.78 MYC (0.61) MYCMAXARPELP1GAA
SCHEMBL4717489 0.78 PDK1 (0.52) MYCMAXARPELP1EP300

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 MYC 4502/4885MAX 1587/4885AR 1893/4885
US-20070265283-A1 Xanthine Oxidase Inhibitor XDH, CBR1, NOX1 MYC 4438/4885MAX 1465/4885AR 1841/4885

“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.