SCHEMBL2110106

SCHEMBL2110106

O=[N+]([O-])C=Cc1ccc2ocnc2c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 12/20 0.49
EGFR P00533 2/20 0.47
ABL1 P00519 1/20 0.47
ABL2 P42684 1/20 0.47
VCP P55072 4/20 0.47
NPC1 O15118 1/20 0.47
MTOR P42345 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TLR4 O00206 3/20 0.42
TLR2 O60603 3/20 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
SCHEMBL2603491 0.88 EGFR (0.51) FBP1EGFRABL1ABL2VCP
SCHEMBL6186460 0.75 ALDH1A1 (0.47) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL11869172 0.74 ESR1 (0.60) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL27130686 0.73 DYRK1A (0.46) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL29580246 0.72 ALDH1A1 (0.49) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL20562958 0.72 CYP2A6 (0.57) FBP1EGFRABL1ABL2VCP
SCHEMBL20562957 0.72 CYP2A6 (0.57) FBP1EGFRABL1ABL2VCP
SCHEMBL7547842 0.72 ESR1 (0.44) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL15969643 0.72 DYRK1A (0.45) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5539641 0.72 DYRK1A (0.45) NPC1RAB9AALDH1A1LMNASMN1; SMN2

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200237717-A1 Treatment of Staphylococcal and Enterococcal Infections Using Substituted Nitrostyrene Compounds Opal Biosciences Limited (AU) 2020-07-30 US claimed
EP-3661496-A1 TREATMENT OF STAPHYLOCOCCAL AND ENTEROCOCCAL INFECTIONS USING SUBSTITUTED NITROSTYRENE COMPOUNDS Opal Biosciences Limited (AU) 2020-06-10 EP claimed
WO-2019023741-A1 TREATMENT OF STAPHYLOCOCCAL AND ENTEROCOCCAL INFECTIONS USING SUBSTITUTED NITROSTYRENE COMPOUNDS Opal Biosciences Limited (AU) 2019-02-07 WO claimed
US-20140080876-A1 ANTIMICROBIAL AND RADIOPROTECTIVE COMPOUNDS BIODIEM LTD (AU) 2014-03-20 US claimed
CN-101804047-B Antimicrobial and radioprotective compounds BIODIEM LTD 2012-12-26 CN claimed
CN-101804047-A Antibiotic and Radioprotector compounds BIODIEM LTD 2010-08-18 CN claimed
CN-1863788-B Antibacterial and radioprotective compounds BIODIEM LTD 2010-05-12 CN claimed
EP-1404665-A4 ANTIMICROBIAL AND RADIOPROTECTIVE COMPOUNDS BIODIEM LTD (AU) 2007-06-27 EP claimed
CN-1863788-A Antibacterial and radioprotective compounds BIODIEM LTD (AU) 2006-11-15 CN claimed
US-20060100258-A1 Growth promotion method BIODIEM LTD. (AU) 2006-05-11 US claimed
CN-1753875-A Growth promotion method BIODIEM LTD (AU) 2006-03-29 CN claimed
EP-1597236-A1 GROWTH PROMOTION METHOD Biodiem Ltd. (AU) 2005-11-23 EP claimed
US-20040266844-A1 Antimicrobial and radioprotective compounds BIODIEM LTD (AU) 2004-12-30 US claimed
WO-2004076423-A1 GROWTH PROMOTION METHOD BIODIEM LTD (AU) 2004-09-10 WO claimed
EP-1404665-A1 ANTIMICROBIAL AND RADIOPROTECTIVE COMPOUNDS Biodiem Ltd. (AU) 2004-04-07 EP claimed
WO-2002102789-A1 ANTIMICROBIAL AND RADIOPROTECTIVE COMPOUNDS BIODIEM LTD (AU) 2002-12-27 WO claimed
US-20200237717-A1 Treatment of Staphylococcal and Enterococcal Infections Using Substituted Nitrostyrene Compounds Opal Biosciences Limited (AU) 2020-07-30 US disclosed
US-9867802-B2 Method of treating Scedosporium spp. infection BIODIEM LIMITED (AU) 2018-01-16 US disclosed
EP-1404665-A1 ANTIMICROBIAL AND RADIOPROTECTIVE COMPOUNDS Biodiem Ltd. (AU) 2004-04-07 EP disclosed
WO-2002102789-A1 ANTIMICROBIAL AND RADIOPROTECTIVE COMPOUNDS BIODIEM LTD (AU) 2002-12-27 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 (4 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-20200237717-A1 Treatment of Staphylococcal and Enterococcal Infections Using Substituted Nitrostyrene Compounds APP, AHR, ESD FBP1 3205/4885EGFR 1363/4885ABL1 3616/4885
US-20040266844-A1 Antimicrobial and radioprotective compounds VIP, XPA, ERCC4 FBP1 581/4885EGFR 1738/4885ABL1 2804/4885
US-20140080876-A1 ANTIMICROBIAL AND RADIOPROTECTIVE COMPOUNDS RAD51, BRCA1, XPA FBP1 1139/4885EGFR 1313/4885ABL1 2850/4885
US-20060100258-A1 Growth promotion method HDGF, MKI67, GHRHR FBP1 2178/4885EGFR 58/4885ABL1 566/4885

“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.