SCHEMBL222788

SCHEMBL222788

N#CSc1c([N+](=O)[O-])cc(-c2cccnc2)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.49
CYP11B1 P15538 3/20 0.49
CYP2A6 P11509 2/20 0.43
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40
POLB P06746 1/20 0.39
CYP17A1 P05093 1/20 0.39
PDE5A O76074 2/20 0.39
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
USP1 O94782 1/20 0.39
WDR48 Q8TAF3 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA5 P30532 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL2760441 0.89 CYP11B2 (0.46) CYP11B2CYP11B1CYP2A6RAB9AALDH1A1
SCHEMBL223188 0.84 ABCB1 (0.47) CYP11B2CYP11B1RAB9AABCB1ABCC1
SCHEMBL27769120 0.84 MAPK1 (0.39) CYP11B2CYP11B1CYP2A6ALDH1A1POLB
SCHEMBL27769119 0.79 CYP11B2 (0.45) CYP11B2CYP11B1CYP2A6RAB9AALDH1A1
SCHEMBL222287 0.77 CYP11B1 (0.55) CYP11B2CYP11B1CYP2A6RAB9AALDH1A1
SCHEMBL1663904 0.75 CYP11B1 (0.57) CYP11B2CYP11B1CYP2A6RAB9AALDH1A1
SCHEMBL77083 0.74 TDP1 (0.67) CYP11B2CYP11B1CYP2A6RAB9AALDH1A1
SCHEMBL29580441 0.74 TDP1 (0.67) CYP11B2CYP11B1CYP2A6RAB9AALDH1A1
SCHEMBL1359189 0.72 CYP11B1 (0.51) CYP11B2CYP11B1CYP2A6RAB9AALDH1A1
SCHEMBL4704336 0.71 ERN1 (0.56) CYP11B2CYP11B1CYP2A6ALDH1A1CYP1A2

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 20 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
US-8389516-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-03-05 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
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-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 CYP11B2 1907/4885CYP11B1 1681/4885CYP2A6 20/4885
US-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 CYP11B2 1612/4885CYP11B1 1639/4885CYP2A6 25/4885
US-20110263590-A1 Antibacterial Compositions CYCS, COX6C, RPS6 CYP11B2 1782/4885CYP11B1 1582/4885CYP2A6 22/4885

“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.