SCHEMBL458569

SCHEMBL458569

Nc1cccc2[nH]cc(CC(N)C(=O)O)c12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.63
KDM4E B2RXH2 4/20 0.63
MAPT P10636 4/20 0.63
MEN1 O00255 3/20 0.63
LMNA P02545 2/20 0.63
TSHR P16473 2/20 0.63
BLM P54132 2/20 0.63
PMP22 Q01453 2/20 0.63
MPO P05164 1/20 0.63
HIF1A Q16665 1/20 0.63
ALDH1A1 P00352 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HTR2A P28223 2/20 0.52
HTR2C P28335 2/20 0.52
HTR2B P41595 2/20 0.52
CYP3A4 P08684 1/20 0.52
HTR1A P08908 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
ALOX15 P16050 1/20 0.52
NFKB1 P19838 1/20 0.52

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
SCHEMBL30356567 1.00 KMT2A (0.63) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL27917618 1.00 KMT2A (0.63) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL18029241 1.00 KMT2A (0.63) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL458570 1.00 KMT2A (0.63) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL7480435 0.86 KMT2A (0.63) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL30084863 0.86 KMT2A (0.68) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL1114867 0.86 KMT2A (0.68) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL1460641 0.86 KMT2A (0.68) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL18029267 0.86 KMT2A (0.68) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL7480432 0.86 KMT2A (0.63) KMT2AKDM4EMAPTMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3335720-A1 C-DI-GMP BINDING PEPTIDES Universität Basel (CH) 2018-06-20 EP claimed
US-20260103442-A1 AMINATED PSILOCYBIN DERIVATIVES AND METHODS OF USING ENVERIC BIOSCIENCES CANADA INC (CA) 2026-04-16 US disclosed
US-12378195-B2 Aminated psilocybin derivatives and methods of using Enveric Biosciences Canada Inc. (CA) 2025-08-05 US disclosed
US-20250242053-A1 RECOMBINANT THERAPEUTIC FMR1 CONSTRUCTS AND METHODS OF TREATING FRAGILE X SYNDROME AND RELATED DISORDERS THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2025-07-31 US disclosed
US-20250136651-A1 RECOMBINANT OPTIMIZED MECP2 CASSETTES AND METHODS FOR TREATING RETT SYNDROME AND RELATED DISORDERS THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2025-05-01 US disclosed
EP-4514980-A1 RECOMBINANT THERAPEUTIC FMR1 CONSTRUCTS AND METHODS OF TREATING FRAGILE X SYNDROME AND RELATED DISORDERS The University Court Of The University of Edinburgh (GB) 2025-03-05 EP disclosed
WO-2023114816-A9 RECOMBINANT OPTIMIZED GALC CONSTRUCTS AND METHODS FOR TREATING GALC-ASSOCIATED DISORDERS NEUROGENE INC. (US) 2025-01-16 WO disclosed
CN-119301258-A Recombinant therapeutic FMR1 constructs and methods of treating fragile X syndrome and related disorders 爱丁堡大学董事会 2025-01-10 CN disclosed
EP-4473121-A1 RECOMBINANT OPTIMIZED MECP2 CASSETTES AND METHODS FOR TREATING RETT SYNDROME AND RELATED DISORDERS The University Court Of The University of Edinburgh (GB) 2024-12-11 EP disclosed
US-20240384267-A1 COMPOSITIONS AND METHODS FOR MULTIPLEX DECODING OF QUADRUPLET CODONS THE BROAD INSTITUTE, INC. 2024-11-21 US disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US disclosed
US-20080214439-A1 AMINO ACID SUBSTITUTED MOLECULES ALLOZYNE, INC. (US) 2008-09-04 US disclosed
EP-1961817-A1 METHOD FOR PRODUCTION OF PROTEIN HAVING NON-NATURAL TYPE AMINO ACID INTEGRATED THEREIN Riken (JP) 2008-08-27 EP disclosed
US-20080200641-A1 AMINO ACID SUBSTITUTED MOLECULES ALLOZYNE, INC. (US) 2008-08-21 US disclosed
US-20080125347-A1 AMINO ACID SUBSTITUTED MOLECULES ALLOZYNE, INC. (US) 2008-05-29 US disclosed
US-20080096819-A1 Amino acid substituted molecules ALLOZYNE, INC. (US) 2008-04-24 US disclosed
US-20080044854-A1 SITE-SPECIFIC INCORPORATION OF AMINO ACIDS INTO MOLECULES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-02-21 US disclosed
WO-2007149852-A2 MODIFIED FACTOR VIII AND FACTOR IX GENES AND VECTORS FOR GENE THERAPY ASKLEPIOS BIOPHARMACEUTICAL, INC. (US) 2007-12-27 WO disclosed
WO-2007130453-A2 NON-NATURAL AMINO ACID SUBSTITUTED POLYPEPTIDES ALLOZYNE, INC. (US) 2007-11-15 WO disclosed
WO-2007103307-A2 SITE-SPECIFIC INCORPORATION OF AMINO ACIDS INTO MOLECULES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-09-13 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 (7 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-20080096819-A1 Amino acid substituted molecules BCAT2, DNPEP, PTMS KMT2A 839/4885KDM4E 2570/4885MAPT 2991/4885
US-20080214439-A1 AMINO ACID SUBSTITUTED MOLECULES BCAT2, DNPEP, PTMS KMT2A 839/4885KDM4E 2570/4885MAPT 2991/4885
US-20260103442-A1 AMINATED PSILOCYBIN DERIVATIVES AND METHODS OF USING HTR2C, CNR2, HTR2B KMT2A 1298/4885KDM4E 958/4885MAPT 2675/4885
US-20080200641-A1 AMINO ACID SUBSTITUTED MOLECULES BCAT2, DNPEP, PTMS KMT2A 839/4885KDM4E 2570/4885MAPT 2991/4885
US-20080044854-A1 SITE-SPECIFIC INCORPORATION OF AMINO ACIDS INTO MOLECULES AARS1, TRMT1, NSUN3 KMT2A 915/4885KDM4E 1741/4885MAPT 4331/4885
US-12378195-B2 Aminated psilocybin derivatives and methods of using CNR2, HTR2B, HTR1B KMT2A 1640/4885KDM4E 1669/4885MAPT 1891/4885
US-20080125347-A1 AMINO ACID SUBSTITUTED MOLECULES BCAT2, DNPEP, PTMS KMT2A 839/4885KDM4E 2570/4885MAPT 2991/4885

“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.