SCHEMBL3502174

SCHEMBL3502174

CSc1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 15/20 0.72
GSTM2 P28161 15/20 0.72
IDO1 P14902 5/20 0.65
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
NSD2 O96028 1/20 0.56
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
HSP90AA1 P07900 1/20 0.56
MAPT P10636 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
RECQL P46063 1/20 0.56
RAB9A P51151 1/20 0.56
BLM P54132 1/20 0.56
CASP6 P55212 1/20 0.56
KMT2A Q03164 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TLR9 Q9NR96 1/20 0.56

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
SCHEMBL18878890 0.86 GSTP1 (0.77) GSTP1GSTM2IDO1KDM4EMEN1
SCHEMBL7052057 0.84 GSTM2 (0.66) GSTP1GSTM2IDO1MEN1ALDH1A1
SCHEMBL297920 0.79 IDO1 (1.00) GSTP1GSTM2IDO1CASP6
SCHEMBL2608494 0.79 GSTP1 (0.61) GSTP1GSTM2IDO1MEN1POLB
SCHEMBL6836307 0.78 GSTP1 (1.00) GSTP1GSTM2IDO1KDM4EMEN1
SCHEMBL6049348 0.78 GSTP1 (0.74) GSTP1GSTM2IDO1
SCHEMBL300204 0.77 GSTP1 (0.82) GSTP1GSTM2
SCHEMBL6833698 0.77 IDO1 (0.78) GSTP1GSTM2IDO1KDM4EMEN1
SCHEMBL18896958 0.77 IDO1 (0.76) GSTP1GSTM2IDO1KDM4EMEN1
SCHEMBL6049433 0.76 IDO1 (0.76) GSTP1GSTM2IDO1

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 9 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
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
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 GSTP1 2/4885GSTM2 5/4885IDO1 3045/4885

“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.