SCHEMBL3511031

SCHEMBL3511031

O=[N+]([O-])c1ccc(Sc2ccc([N+](=O)[O-])c3nsnc23)c2nsnc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 3/20 0.53
TXNRD3 Q86VQ6 3/20 0.53
TXNRD2 Q9NNW7 3/20 0.53
GSTP1 P09211 7/20 0.48
GSTM2 P28161 7/20 0.48
IDO1 P14902 5/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
GAA P10253 1/20 0.47
HTT P42858 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
NSD2 O96028 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL15220551 0.87 TXNRD1 (0.66) TXNRD1TXNRD3TXNRD2GSTP1GSTM2
SCHEMBL3506038 0.79 MAPT (0.59) TXNRD1TXNRD3TXNRD2GSTP1GSTM2
SCHEMBL22443268 0.76 TXNRD1 (0.54) TXNRD1TXNRD3TXNRD2GSTP1GSTM2
SCHEMBL3499733 0.76 TXNRD1 (0.54) TXNRD1TXNRD3TXNRD2IDO1MEN1
SCHEMBL3181251 0.76 TXNRD1 (0.54) TXNRD1TXNRD3TXNRD2GSTP1GSTM2
SCHEMBL5708827 0.76 TXNRD1 (0.54) TXNRD1TXNRD3TXNRD2IDO1MEN1
SCHEMBL10627279 0.76 TXNRD1 (0.54) TXNRD1TXNRD3TXNRD2MEN1MAPT
SCHEMBL18878890 0.75 GSTP1 (0.77) GSTP1GSTM2IDO1MEN1MAPT
SCHEMBL5708784 0.72 TXNRD1 (0.50) TXNRD1TXNRD3TXNRD2MEN1MAPT
SCHEMBL5713918 0.71 TXNRD1 (0.45) TXNRD1TXNRD3TXNRD2GSTP1GSTM2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184601-A1 Method and Means Relating to Multiple Herbicide Resistance in Plants UNIVERSITY OF DURHAM (GB) 2010-07-22 US claimed
EP-2190290-A2 METHOD AND MEANS RELATING TO MULTIPLE HERBICIDE RESISTANCE IN PLANTS University Of Durham (GB) 2010-06-02 EP claimed
WO-2009034396-A2 METHOD AND MEANS RELATING TO MULTIPLE HERBICIDE RESISTANCE IN PLANTS UNIVERSITY OF DURHAM (GB) 2009-03-19 WO claimed
US-20100184601-A1 Method and Means Relating to Multiple Herbicide Resistance in Plants UNIVERSITY OF DURHAM (GB) 2010-07-22 US disclosed
US-20100184601-A1 Method and Means Relating to Multiple Herbicide Resistance in Plants UNIVERSITY OF DURHAM (GB) 2010-07-22 US disclosed
EP-2190290-A2 METHOD AND MEANS RELATING TO MULTIPLE HERBICIDE RESISTANCE IN PLANTS University Of Durham (GB) 2010-06-02 EP disclosed
WO-2009034396-A2 METHOD AND MEANS RELATING TO MULTIPLE HERBICIDE RESISTANCE IN PLANTS UNIVERSITY OF DURHAM (GB) 2009-03-19 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 (1 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-20100184601-A1 Method and Means Relating to Multiple Herbicide Resistance in Plants GSTO1, GSTP1, GSR TXNRD1 142/4885TXNRD3 81/4885TXNRD2 144/4885

“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.