SCHEMBL1638698

SCHEMBL1638698

O=C(NN=Cc1cc([N+](=O)[O-])ccc1O)c1ccccc1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.78
KMT2A Q03164 7/20 0.78
PHGDH O43175 2/20 0.77
KDM4E B2RXH2 8/20 0.71
MAPT P10636 8/20 0.71
RRM1 P23921 1/20 0.70
TDP1 Q9NUW8 4/20 0.69
HTT P42858 3/20 0.69
NPC1 O15118 1/20 0.69
NPSR1 Q6W5P4 1/20 0.69
L3MBTL1 Q9Y468 3/20 0.66
LMNA P02545 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
ALDH1A1 P00352 2/20 0.66
CCR6 P51684 1/20 0.66
MAPK1 P28482 2/20 0.65
TP53 P04637 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
HPGD P15428 1/20 0.65

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
SCHEMBL12766815 1.00 MEN1 (0.78) MEN1KMT2APHGDHKDM4EMAPT
SCHEMBL1638695 1.00 MEN1 (0.78) MEN1KMT2APHGDHKDM4EMAPT
SCHEMBL21292698 0.90 MEN1 (0.73) MEN1KMT2APHGDHKDM4EMAPT
SCHEMBL21292700 0.90 MEN1 (0.73) MEN1KMT2APHGDHKDM4EMAPT
SCHEMBL21292803 0.88 MEN1 (1.00) MEN1KMT2APHGDHKDM4EMAPT
SCHEMBL21292805 0.88 MEN1 (1.00) MEN1KMT2APHGDHKDM4EMAPT
SCHEMBL14983731 0.87 MEN1 (0.77) MEN1KMT2APHGDHKDM4EMAPT
SCHEMBL14583880 0.87 PHGDH (1.00) MEN1KMT2APHGDHKDM4EMAPT
SCHEMBL21292676 0.87 PHGDH (1.00) MEN1KMT2APHGDHKDM4EMAPT
SCHEMBL29359751 0.87 PHGDH (1.00) MEN1KMT2APHGDHKDM4EMAPT

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-20110098309-A1 METHODS OF INHIBITING THE FORMATION OF AMYLOID-BETA DIFFUSABLE LIGANDS USING ACYLHYDRAZIDE COMPOUNDS ACUMEN PHARMACEUTICALS, INC. (US) 2011-04-28 US claimed
EP-2194975-A2 METHODS OF INHIBITING THE FORMATION OF AMYLOID-ß DIFFUSABLE LIGANDS USING A ACYLHYDRAZIDE COMPOUNDS Acumen Pharmaceuticals, Inc. (US) 2010-06-16 EP claimed
WO-2009009768-A2 METHODS OF INHIBITING THE FORMATION OF AMYLOID-β DIFFUSABLE LIGANDS USING A ACYLHYDRAZIDE COMPOUDS ACUMEN PHARMACEUTICALS, INC. (US) 2009-01-15 WO claimed
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
US-20110098309-A1 METHODS OF INHIBITING THE FORMATION OF AMYLOID-BETA DIFFUSABLE LIGANDS USING ACYLHYDRAZIDE COMPOUNDS ACUMEN PHARMACEUTICALS, INC. (US) 2011-04-28 US disclosed
EP-2194975-A2 METHODS OF INHIBITING THE FORMATION OF AMYLOID-ß DIFFUSABLE LIGANDS USING A ACYLHYDRAZIDE COMPOUNDS Acumen Pharmaceuticals, Inc. (US) 2010-06-16 EP disclosed
WO-2009009768-A2 METHODS OF INHIBITING THE FORMATION OF AMYLOID-β DIFFUSABLE LIGANDS USING A ACYLHYDRAZIDE COMPOUDS ACUMEN PHARMACEUTICALS, INC. (US) 2009-01-15 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 (4 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 1899/4885PHGDH 4/4885
US-20110098309-A1 METHODS OF INHIBITING THE FORMATION OF AMYLOID-BETA DIFFUSABLE LIGANDS USING ACYLHYDRAZIDE COMPOUNDS APP, APBA1, BACE1 MEN1 2974/4885KMT2A 3625/4885PHGDH 3256/4885
US-20200054593-A1 D-3-PHOSPHOGLYCERATE DEHYDROGENASE ALLOSTERIC INHIBITOR AND USE THEREOF MDH2, MDH1, DLD MEN1 2502/4885KMT2A 1899/4885PHGDH 4/4885
US-20190262303-A1 D-3-PHOSPHOGLYCERATE DEHYDROGENASE ALLOSTERIC INHIBITOR AND USE THEREOF MDH2, MDH1, DLD MEN1 2502/4885KMT2A 1899/4885PHGDH 4/4885

“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.