SCHEMBL222987

SCHEMBL222987

Nc1nc2cc(-c3cccnc3)cc([N+](=O)[O-])c2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.51
PIP5K1C O60331 1/20 0.51
PIK3CA P42336 1/20 0.51
PI4KA P42356 1/20 0.51
PI4KB Q9UBF8 1/20 0.51
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
CYP2A6 P11509 2/20 0.45
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 2/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL222287 0.79 CYP11B1 (0.55) ALDH1A1MAPTCYP11B1CYP11B2CYP2A6
SCHEMBL2760411 0.78 PIK3CD (0.57) PIK3CDPIP5K1CPIK3CAPI4KAPI4KB
SCHEMBL12264114 0.78 PIK3CD (0.53) PIK3CDPIP5K1CPIK3CAPI4KAPI4KB
SCHEMBL12509852 0.78 PIK3CA (0.56) PIK3CDPIP5K1CPIK3CAPI4KAPI4KB
SCHEMBL222296 0.77 ABL1 (0.50)
SCHEMBL1359189 0.74 CYP11B1 (0.51) ALDH1A1MAPTCYP11B1CYP11B2CYP2A6
SCHEMBL29580441 0.73 TDP1 (0.67) ALDH1A1MAPTCYP11B1CYP11B2CYP2A6
SCHEMBL77083 0.73 TDP1 (0.67) ALDH1A1MAPTCYP11B1CYP11B2CYP2A6
SCHEMBL222082 0.73 CFTR (0.48) PIK3CDPIP5K1CPIK3CAPI4KAPI4KB
SCHEMBL5036431 0.72 CHEK2 (0.50) ALDH1A1CYP11B1CYP11B2CYP2A6RAB9A

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
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
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-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
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 PIK3CD 3480/4885PIP5K1C 2711/4885PIK3CA 4048/4885
US-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 PIK3CD 2792/4885PIP5K1C 617/4885PIK3CA 3650/4885
US-20110263590-A1 Antibacterial Compositions CYCS, COX6C, RPS6 PIK3CD 3463/4885PIP5K1C 2749/4885PIK3CA 4048/4885

“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.