SCHEMBL2113455

SCHEMBL2113455

C/C(=C/c1ccc2c(c1)OCO2)[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.57
MTOR P42345 1/20 0.57
RAB9A P51151 1/20 0.57
VCP P55072 1/20 0.57
ABL1 P00519 1/20 0.56
EGFR P00533 1/20 0.56
ABL2 P42684 1/20 0.56
ALDH1A1 P00352 3/20 0.51
HSD17B10 Q99714 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
CYP3A4 P08684 3/20 0.50
CYP1A2 P05177 3/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
FBP1 P09467 2/20 0.50
PTPN1 P18031 1/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
JAK2 O60674 1/20 0.49

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
SCHEMBL1245813 1.00 NPC1 (0.57) NPC1MTORRAB9AVCPABL1
SCHEMBL1245814 1.00 NPC1 (0.57) NPC1MTORRAB9AVCPABL1
SCHEMBL13904682 0.81 NPC1 (0.56) NPC1MTORRAB9AVCPALDH1A1
SCHEMBL13904548 0.79 NPC1 (0.55) NPC1MTORRAB9AVCPALDH1A1
SCHEMBL1613583 0.79 NPC1 (0.55) NPC1MTORRAB9AVCPALDH1A1
SCHEMBL6023661 0.79 NPC1 (0.51) NPC1MTORRAB9AVCPALDH1A1
SCHEMBL6023664 0.79 NPC1 (0.51) NPC1MTORRAB9AVCPALDH1A1
SCHEMBL11078650 0.79 CRHBP (0.52) NPC1MTORRAB9AVCPALDH1A1
SCHEMBL9146862 0.79 CYP3A4 (0.59) ALDH1A1HSD17B10TDP1CYP3A4CYP1A2
SCHEMBL10063347 0.78 NPC1 (0.54) NPC1MTORRAB9AVCPALDH1A1

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 50 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-2854799-B1 3,4-METHYLENEDIOXY-BETA-METHYL-BETA-NITROSTYRENE FOR USE IN THE TREATMENT OF SCEDOSPORIUM SPP. INFECTION OPAL BIOSCIENCES LTD (AU) 2018-04-25 EP claimed
US-9867802-B2 Method of treating Scedosporium spp. infection BIODIEM LIMITED (AU) 2018-01-16 US claimed
EP-2468276-B1 Nitrostyrene derivatives having antimicrobial action BIODIEM LTD (AU) 2015-11-11 EP claimed
EP-2471531-B1 Nitro-styrene derivatives having antimicrobial activity BIODIEM LTD (AU) 2015-11-04 EP claimed
EP-2468275-B1 Nitrostyrene derivatives with antimicrobial action BIODIEM LTD (AU) 2015-11-04 EP claimed
US-20150258059-A1 ANTIMICROBIAL AND RADIOPROTECTIVE COMPOUNDS BIODIEM LTD (AU) 2015-09-17 US claimed
US-9045452-B2 Antimicrobial and radioprotective compounds BIODIEM LTD. (AU) 2015-06-02 US claimed
US-20140080876-A1 ANTIMICROBIAL AND RADIOPROTECTIVE COMPOUNDS BIODIEM LTD (AU) 2014-03-20 US claimed
US-8569363-B2 Antimicrobial and radioprotective compounds BIODIEM LTD. (AU) 2013-10-29 US claimed
EP-1404665-B1 ANTIMICROBIAL COMPOUNDS BIODIEM LTD (AU) 2012-08-08 EP claimed
EP-2471531-A2 Nitro-styrene derivatives having antimicrobial activity Biodiem Ltd. (AU) 2012-07-04 EP claimed
EP-2468276-A1 Nitrostyrene derivatives having antimicrobial action Biodiem Ltd. (AU) 2012-06-27 EP claimed
EP-2468275-A1 Nitrostyrenederivatives with antimicrobial action Biodiem Ltd. (AU) 2012-06-27 EP claimed
US-8158664-B2 Antimicrobial and radioprotective compounds BIODIEM LTD. (AU) 2012-04-17 US claimed
US-20100292317-A1 ANTIMICROBIAL AND RADIOPROTECTIVE COMPOUNDS BIODIEM LTD. (AU) 2010-11-18 US claimed
US-7825145-B2 Antimicrobial and radioprotective compounds BIODIEM LTD (AU) 2010-11-02 US claimed
US-20090012137-A1 administering microbiocides such as 3,4-methylenedioxy- beta -nitrostyrene, for the treatment of urogenital disorders caused by Candida, Neisseria, Chlamydia or Trichomonas; side effect reduction of radiotherapy BIODIEM LTD. (AU) 2009-01-08 US claimed
US-20060100258-A1 Growth promotion method BIODIEM LTD. (AU) 2006-05-11 US claimed
US-20040266844-A1 Antimicrobial and radioprotective compounds BIODIEM LTD (AU) 2004-12-30 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 NPC1 268/4885MTOR 1703/4885RAB9A 2868/4885
US-20040266844-A1 Antimicrobial and radioprotective compounds VIP, XPA, ERCC4 NPC1 527/4885MTOR 1674/4885RAB9A 958/4885
US-20140080876-A1 ANTIMICROBIAL AND RADIOPROTECTIVE COMPOUNDS RAD51, BRCA1, XPA NPC1 1591/4885MTOR 2604/4885RAB9A 451/4885
US-20150258059-A1 ANTIMICROBIAL AND RADIOPROTECTIVE COMPOUNDS RAD51, BRCA1, XPA NPC1 1591/4885MTOR 2604/4885RAB9A 451/4885
US-20100292317-A1 ANTIMICROBIAL AND RADIOPROTECTIVE COMPOUNDS RAD51, BRCA1, XPA NPC1 1591/4885MTOR 2604/4885RAB9A 451/4885
US-20090012137-A1 administering microbiocides such as 3,4-methylenedioxy- beta -nitrostyrene, for the treatment of urogenital disorders caused by Candida, Neisseria, Chlamydia or Trichomonas; side effect reduction of radiotherapy TUBB1, UGT1A1, CYP1A1 NPC1 695/4885MTOR 3796/4885RAB9A 1109/4885
US-20060100258-A1 Growth promotion method HDGF, MKI67, GHRHR NPC1 3101/4885MTOR 617/4885RAB9A 2147/4885

“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.