SCHEMBL525046

SCHEMBL525046

COc1cc(CNCC(=O)O)cc(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
KDM4E B2RXH2 4/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TACR1 P25103 1/20 0.49
HIF1A Q16665 1/20 0.49
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL29767119 0.86 MEN1 (0.56) MEN1KMT2AKDM4EHDAC3HDAC1
SCHEMBL7368527 0.83 MEN1 (0.71) MEN1KMT2AKDM4EHDAC3HDAC1
SCHEMBL31369939 0.83 MEN1 (0.71) MEN1KMT2AKDM4EHDAC3HDAC1
SCHEMBL1807496 0.82 MEN1 (0.61) MEN1KMT2AKDM4EHDAC3HDAC1
Acetic Acid SCHEMBL8720053 0.81 MEN1 (0.68) MEN1KMT2AKDM4EHDAC3HDAC1
SCHEMBL5308861 0.79 MEN1 (0.66) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL2341547 0.78 TACR1 (0.59) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL27570857 0.78 MEN1 (0.63) MEN1KMT2AKDM4EHDAC3HDAC1
SCHEMBL8436952 0.77 CHRM2 (0.53) MEN1KMT2AKDM4EHDAC3HDAC1
SCHEMBL27554492 0.76 MEN1 (0.54) MEN1KMT2AKDM4EALDH1A1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020247679-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY (US) 2020-12-10 WO disclosed
US-20130109581-A1 POSITIVELY CHARGED SPECIES AS BINDING REAGENTS IN THE SEPARATION OF PROTEIN AGGREGATES FROM MONOMERS NOVARTIS AG (CH) 2013-05-02 US disclosed
EP-1931695-B1 Prion-specific peptoid reagents NOVARTIS AG (CH) 2013-04-10 EP disclosed
EP-1653844-B1 PRION-SPECIFIC PEPTIDE REAGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-12-12 EP disclosed
EP-2496947-A1 POSITIVELY CHARGED SPECIES AS BINDING REAGENTS IN THE SEPARATION OF PROTEIN AGGREGATES FROM MONOMERS Novartis AG (CH) 2012-09-12 EP disclosed
US-20120027677-A1 Prion-specific peptoid reagents NOVARTIS AG 2012-02-02 US disclosed
EP-2383281-A2 Prion-specific peptoid reagents Novartis AG (CH) 2011-11-02 EP disclosed
US-20110189692-A1 ASSAY FOR PATHOGENIC CONFORMERS NOVARTIS AG 2011-08-04 US disclosed
WO-2011057029-A1 POSITIVELY CHARGED SPECIES AS BINDING REAGENTS IN THE SEPARATION OF PROTEIN AGGREGATES FROM MONOMERS NOVARTIS AG (CH) 2011-05-12 WO disclosed
EP-2282753-A1 ASSAY FOR PATHOGENIC CONFORMERS Novartis AG (CH) 2011-02-16 EP disclosed
EP-1848830-A2 OSPLATION OF PATHOGENIC PRIONS Novartis Vaccines and Diagnostics, Inc. (US) 2007-10-31 EP disclosed
US-20070087972-A1 Prion-specific peptoid reagents NOVARTIS AG (CH) 2007-04-19 US disclosed
WO-2006086799-A2 PRION-SPECIFIC PEPTIDE REAGENTS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2006-08-17 WO disclosed
WO-2006076497-A2 OSPLATION OF PATHOGENIC PRIONS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2006-07-20 WO disclosed
WO-2006076683-A2 ISOLATION AND DETECTION OF PATHOGENIC PRIONS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2006-07-20 WO disclosed
WO-2006076687-A2 ELISA ASSAYS USING PRION-SPECIFIC PEPTIDE REAGENTS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2006-07-20 WO disclosed
EP-1653844-A2 PRION-SPECIFIC PEPTIDE REAGENTS CHIRON CORPORATION (US) 2006-05-10 EP disclosed
US-20060035242-A1 Prion-specific peptide reagents CHIRON CORPORATION 2006-02-16 US disclosed
US-20050118645-A1 Prion-specific peptide reagents NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2005-06-02 US disclosed
WO-2005016127-A2 PRION-SPECIFIC PEPTIDE REAGENTS CHIRON CORPORATION (US) 2005-02-24 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 (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-20070087972-A1 Prion-specific peptoid reagents PRNP, PARL, PCNP MEN1 2738/4885KMT2A 4687/4885KDM4E 4426/4885
US-20120027677-A1 Prion-specific peptoid reagents PRNP, PARL, PCNP MEN1 2738/4885KMT2A 4687/4885KDM4E 4426/4885

“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.