SCHEMBL223120

SCHEMBL223120

COC(=O)c1cc(-c2cccnc2)cc([N+](=O)[O-])c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.52
ABCC1 P33527 1/20 0.52
CFTR P13569 1/20 0.49
NR4A2 P43354 3/20 0.47
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
CYP19A1 P11511 1/20 0.46
SLC2A1 P11166 1/20 0.44
KMT2A Q03164 2/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 1/20 0.43
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
NTSR1 P30989 1/20 0.42

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
SCHEMBL1202520 0.85 CYP46A1 (0.45) NR4A2KMT2AKDM4EALDH1A1GLA
SCHEMBL1858197 0.83 CFTR (0.58) CFTRNR4A2CYP11B1CYP11B2CYP19A1
SCHEMBL222287 0.82 CYP11B1 (0.55) ABCB1ABCC1CYP11B1CYP11B2CYP19A1
SCHEMBL223188 0.81 ABCB1 (0.47) ABCB1ABCC1CFTRNR4A2CYP11B1
SCHEMBL1861392 0.79 AXL (0.47) ALDH1A1MAPTNPC1MAPK1RAB9A
SCHEMBL1862024 0.78 HDAC3 (0.48) ABCB1ABCC1CYP11B1CYP11B2KMT2A
SCHEMBL1359189 0.77 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1MKNK1MKNK2
SCHEMBL13188536 0.73 IKBKE (0.57) ABCB1ABCC1CFTRNR4A2CYP11B1
SCHEMBL505591 0.73 PDGFRB (0.48) KMT2AKDM4EALDH1A1GAAMAPT
SCHEMBL221958 0.73 ALDH1A1 (0.46) ABCB1ABCC1CFTRKMT2AKDM4E

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 35 patents — showing the first 20. 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-8426426-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-23 US disclosed
US-8426426-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-23 US disclosed
US-8426426-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-23 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-20100105701-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2010-04-29 US disclosed
CN-101538263-A 2-ureido-6-heteroaryl-3H-benzoimidazole-4-carboxylic acid derivatives and related compounds as gyrase and/or topoisomerase IV inhibitors for the treatment of bacterial infections VERTEX PHARMA (US) 2009-09-23 CN 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
EP-1511482-B1 2-UREIDO-6-HETEROARYL-3H-BENZOIMIDAZOLE-4-CARBOXYLIC ACID DERIVATIVES AND RELATED COMPOUNDS AS GYRASE AND/OR TOPOISOMERASE IV INHIBITORS FOR THE TREATMENT OF BACTERIAL INFECTIONS VERTEX PHARMA (US) 2006-11-15 EP disclosed
EP-1511482-A1 2-UREIDO-6-HETEROARYL-3H-BENZOIMIDAZOLE-4-CARBOXYLIC ACID DERIVATIVES AND RELATED COMPOUNDS AS GYRASE AND/OR TOPOISOMERASE IV INHIBITORS FOR THE TREATMENT OF BACTERIAL INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2005-03-09 EP disclosed
WO-2003105846-A1 2-UREIDO-6-HETEROARYL-3H-BENZOIMIDAZOLE-4-CARBOXYLIC ACID DERIVATIVES AND RELATED COMPOUNDS AS GYRASE AND/OR TOPOISOMERASE IV INHIBITORS FOR THE TREATMENT OF BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-12-24 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 (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-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 ABCB1 1731/4885ABCC1 537/4885CFTR 260/4885
US-20100105701-A1 GYRASE INHIBITORS AND USES THEREOF GMPS, NQO2, TOP1 ABCB1 652/4885ABCC1 1658/4885CFTR 734/4885

“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.