SCHEMBL5409524

SCHEMBL5409524

O=C(O)CCN(Cc1cccnc1)C(=O)c1ccccc1-c1ccccc1C(=O)NCc1ccco1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.52
RECQL P46063 1/20 0.52
ALDH1A1 P00352 8/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HTT P42858 2/20 0.50
MAPK1 P28482 4/20 0.48
MEN1 O00255 3/20 0.48
ALOX15 P16050 1/20 0.48
SGMS2 Q8NHU3 1/20 0.46
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.44
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
SCHEMBL5414351 0.92 NPSR1 (0.51) NPSR1RECQLALDH1A1KMT2AMAPT
SCHEMBL5418601 0.87 HTT (0.64) ALDH1A1KMT2AHTTMAPK1MEN1
SCHEMBL5403055 0.86 KMT2A (0.57) ALDH1A1KMT2AHTTMAPK1LMNA
SCHEMBL5411838 0.84 KMT2A (0.50) ALDH1A1KMT2AKDM4EHTTMAPK1
SCHEMBL5392386 0.84 NPSR1 (0.53) NPSR1ALDH1A1MAPTHTTMAPK1
SCHEMBL5392490 0.84 KMT2A (0.54) ALDH1A1KMT2AMAPTKDM4EHTT
SCHEMBL5400541 0.84 ALDH1A1 (0.55) ALDH1A1KMT2AKDM4EHTTMAPK1
SCHEMBL5418625 0.84 HTT (0.54) ALDH1A1KMT2AKDM4EHTTMAPK1
SCHEMBL5406707 0.84 HTT (0.53) ALDH1A1KMT2AHTTMAPK1MEN1
SCHEMBL5402243 0.83 KMT2A (0.51) NPSR1ALDH1A1KMT2AHTTMEN1

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-7285680-B2 β-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-10-23 US disclosed
US-20050256160-A1 Beta-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
EP-1533294-A1 BETA-ALANINE DERIVATIVE AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-25 EP 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 (1 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-20050256160-A1 Beta-alanine derivatives and the use thereof TGFB1, PML, APOB NPSR1 171/4885RECQL 2470/4885ALDH1A1 1256/4885

“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.