SCHEMBL4718482

SCHEMBL4718482

CC(C)COc1ccc(C(=O)Nc2cccnc2N)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
MYC P01106 4/20 0.56
MAX P61244 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
AR P10275 1/20 0.56
PELP1 Q8IZL8 1/20 0.56
RAB9A P51151 3/20 0.55
NPC1 O15118 1/20 0.55
LMNA P02545 3/20 0.52
EP300 Q09472 1/20 0.52
HIF1A Q16665 1/20 0.52
HTT P42858 3/20 0.51
ALDH1A1 P00352 4/20 0.49
POLB P06746 3/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CTDSP1 Q9GZU7 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
SCHEMBL4718859 0.84 MYC (0.52) GAAMYCMAXSMN1; SMN2AR
SCHEMBL28451159 0.82 MYC (0.58) GAAMYCMAXSMN1; SMN2AR
SCHEMBL4716951 0.81 NPC1 (0.51) GAAMYCMAXSMN1; SMN2AR
SCHEMBL4716592 0.80 MYC (0.51) GAAMYCMAXSMN1; SMN2AR
SCHEMBL4718922 0.79 AR (0.61) GAAMYCMAXSMN1; SMN2AR
SCHEMBL4720977 0.79 MYC (0.56) GAAMYCMAXSMN1; SMN2AR
SCHEMBL4718483 0.78 XDH (0.47) MYCMAXARPELP1
SCHEMBL5429662 0.77 AR (0.61) GAAMYCMAXSMN1; SMN2AR
SCHEMBL5429658 0.76 MYC (0.61) GAAMYCMAXSMN1; SMN2AR
SCHEMBL4718892 0.75 AR (0.67) MYCMAXSMN1; SMN2ARPELP1

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 GAA 2999/4885MYC 4502/4885MAX 1587/4885
US-20070265283-A1 Xanthine Oxidase Inhibitor XDH, CBR1, NOX1 GAA 3073/4885MYC 4438/4885MAX 1465/4885

“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.