SCHEMBL222287

SCHEMBL222287

Nc1c([N+](=O)[O-])cc(-c2cccnc2)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.55
CYP11B2 P19099 2/20 0.55
MAPT P10636 2/20 0.51
CYP2A6 P11509 2/20 0.49
MEN1 O00255 2/20 0.49
PSIP1 O75475 1/20 0.49
AXL P30530 1/20 0.49
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CHRNB2 P17787 2/20 0.46
CHRNA5 P30532 2/20 0.46
CHRNA4 P43681 2/20 0.46
RAB9A P51151 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL1359189 0.91 CYP11B1 (0.51) CYP11B1CYP11B2MAPTCYP2A6MEN1
SCHEMBL77083 0.84 TDP1 (0.67) CYP11B1CYP11B2MAPTCYP2A6MEN1
SCHEMBL29580441 0.84 TDP1 (0.67) CYP11B1CYP11B2MAPTCYP2A6MEN1
SCHEMBL5036431 0.83 CHEK2 (0.50) CYP11B1CYP11B2CYP2A6MEN1PSIP1
SCHEMBL1358710 0.83 CYP2A6 (0.51) CYP11B1CYP11B2MAPTCYP2A6RAB9A
SCHEMBL223120 0.82 ABCB1 (0.52) CYP11B1CYP11B2MAPTMEN1MKNK1
SCHEMBL1663904 0.82 CYP11B1 (0.57) CYP11B1CYP11B2CYP2A6MEN1PSIP1
SCHEMBL12239777 0.81 CYP2A6 (0.43) CYP11B1CYP11B2MAPTCYP2A6MEN1
SCHEMBL12818449 0.79 CRHBP (0.67) MAPTMEN1ALDH1A1CYP3A4ABCB1
SCHEMBL1862024 0.79 HDAC3 (0.48) CYP11B1CYP11B2MAPTMEN1MKNK1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101472585-B Antibacterial compositions BIOTA EUROPE LTD 2013-12-04 CN disclosed
US-8481544-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-07-09 US disclosed
US-8481544-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-07-09 US disclosed
US-8481544-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-07-09 US disclosed
US-8389516-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-03-05 US disclosed
EP-2034997-B1 ANTIBACTERIAL COMPOSITIONS BIOTA EUROPE LTD (GB) 2012-10-17 EP disclosed
EP-2034997-B1 ANTIBACTERIAL COMPOSITIONS BIOTA EUROPE LTD (GB) 2012-10-17 EP disclosed
US-20120004221-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2012-01-05 US disclosed
US-20120004221-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2012-01-05 US disclosed
US-20120004221-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2012-01-05 US disclosed
US-20110263590-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2011-10-27 US disclosed
US-7977340-B2 Antibacterial compositions PROLYSIS LTD. (GB) 2011-07-12 US disclosed
US-7977340-B2 Antibacterial compositions PROLYSIS LTD. (GB) 2011-07-12 US disclosed
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 US disclosed
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 US disclosed
CN-101472585-A Antibacterial compositions PROLYSIS LTD (GB) 2009-07-01 CN disclosed
EP-2034997-A1 ANTIBACTERIAL COMPOSITIONS Prolysis Limited (GB) 2009-03-18 EP disclosed
WO-2007148093-A1 ANTIBACTERIAL COMPOSITIONS PROLYSIS LTD. (GB) 2007-12-27 WO disclosed
WO-2007148093-A1 ANTIBACTERIAL COMPOSITIONS PROLYSIS LTD. (GB) 2007-12-27 WO 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 (3 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-20120004221-A1 Antibacterial Compositions CYCS, COX6C, RPS6 CYP11B1 1681/4885CYP11B2 1907/4885MAPT 4801/4885
US-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 CYP11B1 1639/4885CYP11B2 1612/4885MAPT 4870/4885
US-20110263590-A1 Antibacterial Compositions CYCS, COX6C, RPS6 CYP11B1 1582/4885CYP11B2 1782/4885MAPT 4804/4885

“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.