SCHEMBL223188

SCHEMBL223188

COC(=O)c1cc(-c2cccnc2)cc([N+](=O)[O-])c1SC#N

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.47
ABCC1 P33527 1/20 0.47
NR4A2 P43354 3/20 0.43
CFTR P13569 1/20 0.42
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
CYP19A1 P11511 1/20 0.42
NTSR1 P30989 1/20 0.40
RAB9A P51151 1/20 0.40
SLC2A1 P11166 1/20 0.40
KMT2A Q03164 2/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 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
SCHEMBL222788 0.84 CYP11B2 (0.49) ABCB1ABCC1CYP11B1CYP11B2RAB9A
SCHEMBL223120 0.81 ABCB1 (0.52) ABCB1ABCC1NR4A2CFTRCYP11B1
SCHEMBL2760441 0.78 CYP11B2 (0.46) ABCB1ABCC1CYP11B1CYP11B2RAB9A
SCHEMBL27769120 0.75 MAPK1 (0.39) CYP11B1CYP11B2CYP19A1MAPK1
SCHEMBL27623399 0.70 GABRA1 (0.43) KMT2AMAPTMEN1LMNA
SCHEMBL27769119 0.68 CYP11B2 (0.45) ABCB1ABCC1CYP11B1CYP11B2RAB9A
SCHEMBL28277467 0.68 SIRT6 (0.49) KMT2AMAPTMEN1MAPK1LMNA
SCHEMBL1858197 0.68 CFTR (0.58) NR4A2CFTRCYP11B1CYP11B2CYP19A1
SCHEMBL31863830 0.68 CRHBP (0.54) ABCB1ABCC1KMT2AMAPTMEN1
SCHEMBL3956703 0.68 CRHBP (0.54) ABCB1ABCC1KMT2AMAPTMEN1

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
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-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 ABCB1 1228/4885ABCC1 221/4885NR4A2 288/4885
US-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 ABCB1 1731/4885ABCC1 537/4885NR4A2 146/4885
US-20110263590-A1 Antibacterial Compositions CYCS, COX6C, RPS6 ABCB1 1230/4885ABCC1 226/4885NR4A2 292/4885

“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.