SCHEMBL2603490

SCHEMBL2603490

C/C(=C\c1ccc2[nH]cnc2c1)[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.52
▸ ABL1 P00519 1/20 0.52
▸ ABL2 P42684 1/20 0.52
▸ FBP1 P09467 2/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ MAPT P10636 5/20 0.46
▸ LMNA P02545 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ MITF O75030 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ NTSR1 P30989 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ NAMPT P43490 1/20 0.43
▸ XDH P47989 1/20 0.43
▸ HDAC1 Q13547 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL14051691 0.81 HDAC1 (0.39) ALDH1A1MAPTKMT2AHDAC1SMN1; SMN2
SCHEMBL2606218 0.78 HDAC1 (0.39) ALDH1A1MAPTLMNAKMT2ACYP3A4
SCHEMBL28013104 0.75 FBP1 (0.49) EGFRABL1ABL2FBP1CYP3A4
SCHEMBL11436689 0.74 HDAC1 (0.39) ALDH1A1MAPTLMNAKMT2ACYP3A4
SCHEMBL4256803 0.73 CYP3A4 (0.59) FBP1ALDH1A1MAPTLMNAKMT2A
SCHEMBL4256807 0.73 CYP3A4 (0.59) FBP1ALDH1A1MAPTLMNAKMT2A
SCHEMBL4588444 0.72 MAPT (0.42) ALDH1A1MAPTKMT2ACYP3A4NAMPT
SCHEMBL1160196 0.72 CYP2A6 (0.47) ALDH1A1MAPTCYP3A4NAMPTXDH
SCHEMBL29505633 0.72 CYP2A6 (0.47) ALDH1A1MAPTCYP3A4NAMPTXDH
Acetic Acid SCHEMBL28050837 0.71 CYP3A4 (0.65) ALDH1A1MAPTLMNAKMT2ACYP3A4

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 23 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 disclosed
US-9867802-B2 Method of treating Scedosporium spp. infection BIODIEM LIMITED (AU) 2018-01-16 — — US disclosed
US-9867802-B2 Method of treating Scedosporium spp. infection BIODIEM LIMITED (AU) 2018-01-16 — — US disclosed
US-20150258059-A1 ANTIMICROBIAL AND RADIOPROTECTIVE COMPOUNDS BIODIEM LTD (AU) 2015-09-17 — — US disclosed
US-20150258059-A1 ANTIMICROBIAL AND RADIOPROTECTIVE COMPOUNDS BIODIEM LTD (AU) 2015-09-17 — — US disclosed
US-9045452-B2 Antimicrobial and radioprotective compounds BIODIEM LTD. (AU) 2015-06-02 — — US disclosed
US-9045452-B2 Antimicrobial and radioprotective compounds BIODIEM LTD. (AU) 2015-06-02 — — US disclosed
US-20150126436-A1 METHOD OF TREATING SCEDOSPORIUM SPP. INFECTION BIODIEM LIMITED (AU) 2015-05-07 — — US disclosed
US-20150126436-A1 METHOD OF TREATING SCEDOSPORIUM SPP. INFECTION BIODIEM LIMITED (AU) 2015-05-07 — — US disclosed
US-20140080876-A1 ANTIMICROBIAL AND RADIOPROTECTIVE COMPOUNDS BIODIEM LTD (AU) 2014-03-20 — — US disclosed
US-20120225935-A1 ANTIMICROBIAL AND RADIOPROTECTIVE COMPOUNDS BIODIEM LTD. (AU) 2012-09-06 — — US disclosed
US-20120225935-A1 ANTIMICROBIAL AND RADIOPROTECTIVE COMPOUNDS BIODIEM LTD. (AU) 2012-09-06 — — US disclosed
EP-2471531-A2 Nitro-styrene derivatives having antimicrobial activity Biodiem Ltd. (AU) 2012-07-04 — — EP disclosed
EP-2468275-A1 Nitrostyrenederivatives with antimicrobial action Biodiem Ltd. (AU) 2012-06-27 — — EP disclosed
EP-2468276-A1 Nitrostyrene derivatives having antimicrobial action Biodiem Ltd. (AU) 2012-06-27 — — EP disclosed
US-8158664-B2 Antimicrobial and radioprotective compounds BIODIEM LTD. (AU) 2012-04-17 — — US disclosed
US-20100292317-A1 ANTIMICROBIAL AND RADIOPROTECTIVE COMPOUNDS BIODIEM LTD. (AU) 2010-11-18 — — US disclosed
US-7825145-B2 Antimicrobial and radioprotective compounds BIODIEM LTD (AU) 2010-11-02 — — US disclosed
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 disclosed
WO-2008061308-A1 PROTEIN TYROSINE PHOSPHATASE MODULATORS BIODIEM LTD (AU) 2008-05-29 — — 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 (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-20150126436-A1 METHOD OF TREATING SCEDOSPORIUM SPP. INFECTION ERG28, CYP51A1, SORD EGFR 4723/4885ABL1 1427/4885ABL2 970/4885
US-20200237717-A1 Treatment of Staphylococcal and Enterococcal Infections Using Substituted Nitrostyrene Compounds APP, AHR, ESD EGFR 1363/4885ABL1 3616/4885ABL2 1305/4885
US-20140080876-A1 ANTIMICROBIAL AND RADIOPROTECTIVE COMPOUNDS RAD51, BRCA1, XPA EGFR 1313/4885ABL1 2850/4885ABL2 2441/4885
US-20150258059-A1 ANTIMICROBIAL AND RADIOPROTECTIVE COMPOUNDS RAD51, BRCA1, XPA EGFR 1313/4885ABL1 2850/4885ABL2 2441/4885
US-20100292317-A1 ANTIMICROBIAL AND RADIOPROTECTIVE COMPOUNDS RAD51, BRCA1, XPA EGFR 1313/4885ABL1 2850/4885ABL2 2441/4885
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 EGFR 2912/4885ABL1 3274/4885ABL2 3359/4885
US-20120225935-A1 ANTIMICROBIAL AND RADIOPROTECTIVE COMPOUNDS QSOX1, RAD50, RAD51 EGFR 1985/4885ABL1 2952/4885ABL2 2350/4885

“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.

Send feedback