SCHEMBL21292801

SCHEMBL21292801

O=C(NN=Cc1cc([N+](=O)[O-])ccc1O)c1cccc(Cl)c1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.86
KMT2A Q03164 8/20 0.86
TDP1 Q9NUW8 6/20 0.86
NPC1 O15118 3/20 0.86
DUSP3 P51452 1/20 0.69
PTPN5 P54829 1/20 0.69
PTPN11 Q06124 1/20 0.69
KDM4E B2RXH2 9/20 0.67
MAPT P10636 9/20 0.67
ALDH1A1 P00352 2/20 0.67
KDM1A O60341 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
LMNA P02545 2/20 0.66
PHGDH O43175 2/20 0.65
HTT P42858 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
NCOA1 Q15788 1/20 0.63
POLB P06746 2/20 0.60
NPSR1 Q6W5P4 1/20 0.58
CCR6 P51684 1/20 0.58

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
SCHEMBL21292799 1.00 MEN1 (0.86) MEN1KMT2ATDP1NPC1DUSP3
SCHEMBL683720 0.91 DUSP3 (0.76) MEN1KMT2ATDP1NPC1DUSP3
SCHEMBL21292850 0.91 DUSP3 (0.82) MEN1KMT2ATDP1NPC1DUSP3
SCHEMBL21292847 0.91 DUSP3 (0.82) MEN1KMT2ATDP1NPC1DUSP3
SCHEMBL21292811 0.89 DUSP3 (0.71) MEN1KMT2ATDP1NPC1DUSP3
SCHEMBL21292812 0.89 DUSP3 (0.71) MEN1KMT2ATDP1NPC1DUSP3
SCHEMBL683820 0.87 PHGDH (0.76) MEN1KMT2ATDP1NPC1DUSP3
SCHEMBL21292827 0.87 PHGDH (0.76) MEN1KMT2ATDP1NPC1DUSP3
SCHEMBL683798 0.87 KDM4E (0.78) MEN1KMT2ATDP1NPC1DUSP3
SCHEMBL21292701 0.87 DUSP3 (0.69) MEN1KMT2ATDP1NPC1DUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10722489-B2 D-3-phosphoglycerate dehydrogenase allosteric inhibitor and use thereof PEKING UNIVERSITY (CN) 2020-07-28 US disclosed
US-20200054593-A1 D-3-PHOSPHOGLYCERATE DEHYDROGENASE ALLOSTERIC INHIBITOR AND USE THEREOF UNIV BEIJING (CN) 2020-02-20 US disclosed
US-20190262303-A1 D-3-PHOSPHOGLYCERATE DEHYDROGENASE ALLOSTERIC INHIBITOR AND USE THEREOF UNIV BEIJING (CN) 2019-08-29 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 (3 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-10722489-B2 D-3-phosphoglycerate dehydrogenase allosteric inhibitor and use thereof MDH2, MDH1, DLD MEN1 2502/4885KMT2A 1899/4885TDP1 1916/4885
US-20200054593-A1 D-3-PHOSPHOGLYCERATE DEHYDROGENASE ALLOSTERIC INHIBITOR AND USE THEREOF MDH2, MDH1, DLD MEN1 2502/4885KMT2A 1899/4885TDP1 1916/4885
US-20190262303-A1 D-3-PHOSPHOGLYCERATE DEHYDROGENASE ALLOSTERIC INHIBITOR AND USE THEREOF MDH2, MDH1, DLD MEN1 2502/4885KMT2A 1899/4885TDP1 1916/4885

“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.