SCHEMBL5409179

SCHEMBL5409179

COc1ccc(OC)c(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2cccs2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 5/20 0.49
HPGD P15428 5/20 0.49
MAPT P10636 4/20 0.49
ALDH1A1 P00352 4/20 0.49
HSD17B10 Q99714 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
MAPK8 P45983 1/20 0.45
GAA P10253 3/20 0.45
TP53 P04637 2/20 0.44
TSHR P16473 4/20 0.42
RAB9A P51151 3/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 2/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL5399126 0.91 HPGD (0.48) MEN1KMT2ATDP1KDM4EHPGD
SCHEMBL5403729 0.88 RAB9A (0.52) MEN1KMT2AKDM4EHPGDMAPT
SCHEMBL5399253 0.88 TAS1R3 (0.56) KMT2AKDM4EHPGDMAPTALDH1A1
SCHEMBL4925143 0.88 TAS1R3 (0.50) KDM4EHPGDMAPTALDH1A1TAS1R3
SCHEMBL5418566 0.88 TSHR (0.52) MEN1KMT2ATDP1KDM4EHPGD
SCHEMBL5395679 0.87 ALDH1A1 (0.54) MEN1KMT2ATDP1KDM4EHPGD
SCHEMBL5405942 0.87 HPGD (0.46) MEN1KMT2ATDP1KDM4EHPGD
SCHEMBL5402524 0.87 RAB9A (0.54) MEN1KMT2ATDP1KDM4EHPGD
SCHEMBL5398202 0.87 KMT2A (0.49) MEN1KMT2ATDP1KDM4EHPGD
SCHEMBL5405969 0.86 TAS1R3 (0.51) MEN1KMT2AHPGDMAPTALDH1A1

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 MEN1 891/4885KMT2A 2451/4885TDP1 1939/4885

“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.