SCHEMBL21145697

SCHEMBL21145697

O=C(NN=Cc1cccc(O)c1O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 1/20 0.84
PTPN5 P54829 1/20 0.84
PTPN11 Q06124 1/20 0.84
MAPT P10636 8/20 0.65
MEN1 O00255 6/20 0.65
KMT2A Q03164 6/20 0.65
LMNA P02545 5/20 0.65
L3MBTL1 Q9Y468 4/20 0.65
ALDH1A1 P00352 4/20 0.65
POLB P06746 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
GAA P10253 2/20 0.65
KDM4E B2RXH2 2/20 0.65
GFER P55789 1/20 0.63
HTT P42858 4/20 0.61
OPRK1 P41145 2/20 0.60
AGTR1 P30556 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60

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
SCHEMBL21145695 1.00 DUSP3 (0.84) DUSP3PTPN5PTPN11MAPTMEN1
SCHEMBL28423202 0.92 DUSP3 (0.75) DUSP3PTPN5PTPN11MAPTMEN1
SCHEMBL12746264 0.92 DUSP3 (1.00) DUSP3PTPN5PTPN11MAPTMEN1
SCHEMBL684798 0.88 DUSP3 (0.73) DUSP3PTPN5PTPN11MAPTMEN1
SCHEMBL21292850 0.87 DUSP3 (0.82) DUSP3PTPN5PTPN11MAPTMEN1
SCHEMBL21292847 0.87 DUSP3 (0.82) DUSP3PTPN5PTPN11MAPTMEN1
SCHEMBL684743 0.85 DUSP3 (0.69) DUSP3PTPN5PTPN11MAPTMEN1
SCHEMBL28510646 0.85 DUSP3 (0.79) DUSP3PTPN5PTPN11MAPTMEN1
SCHEMBL12746261 0.84 DUSP3 (0.71) DUSP3PTPN5PTPN11MAPTMEN1
SCHEMBL684747 0.84 DUSP3 (0.67) DUSP3PTPN5PTPN11MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11166924-B2 N-methyl-d-aspartate receptor allosteric modulators and methods for their use QINGDAO PRIMEDICINE PHARMACEUTICAL COMPANY, LTD. (CN) 2021-11-09 US disclosed
US-20190216753-A1 N-METHYL-D-ASPARTATE RECEPTOR ALLOSTERIC MODULATORS AND METHODS FOR THEIR USE QINGDAO PRIMEDICINE PHARMACEUTICAL COMPANY, LTD. (CN) 2019-07-18 US 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 (2 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-20190216753-A1 N-METHYL-D-ASPARTATE RECEPTOR ALLOSTERIC MODULATORS AND METHODS FOR THEIR USE GRIN2A, GRIN3A, GRIN1 DUSP3 716/4885PTPN5 2131/4885PTPN11 2642/4885
US-11166924-B2 N-methyl-d-aspartate receptor allosteric modulators and methods for their use GRIN2A, GRIN3A, GRIN1 DUSP3 716/4885PTPN5 2131/4885PTPN11 2642/4885

“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.