SCHEMBL20596010

SCHEMBL20596010

CCOC(=O)CN(C(=O)OC(C)(C)C)c1ccc2ncc(Br)n2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
GAA P10253 4/20 0.37
GLA P06280 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.33
P2RX3 P56373 1/20 0.33
TGFBR1 P36897 2/20 0.32
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FGFR1 P11362 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR4 P22455 1/20 0.31
FGFR3 P22607 1/20 0.31
KDR P35968 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
GSTO1 P78417 1/20 0.31

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
SCHEMBL30218494 0.80 PAX8 (0.39) KDM4EGAAGLATGFBR1FGFR1
SCHEMBL20596270 0.79 NAMPT (0.37) KDM4EL3MBTL1P2RX3
SCHEMBL20596210 0.78 P2RX3 (0.35) KDM4EGAAGLAP2RX3TGFBR1
SCHEMBL2928884 0.77 SMN1; SMN2 (0.43) KDM4EGAAALDH1A1KMT2AMEN1
SCHEMBL25213314 0.72 CYP3A4 (0.43) P2RX3ALDH1A1KMT2ASMN1; SMN2NFKB1
SCHEMBL6213093 0.72 F2 (0.44) KDM4EGAAP2RX3ALDH1A1SMN1; SMN2
SCHEMBL3058381 0.71 SMN1; SMN2 (0.42) KDM4EGAAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL4832575 0.71 SMN1; SMN2 (0.42) GAAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL29241474 0.71 S100B (0.42) KDM4EL3MBTL1P2RX3ALDH1A1KMT2A
SCHEMBL30808414 0.69 TSHR (0.32) TGFBR1FGFR1AAK1

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-11584744-B2 Inhibitors of type 1 methionyl-tRNA synthetase and methods of using them UNIVERSITY OF WASHINGTON (US) 2023-02-21 US disclosed
US-20210155617-A1 INHIBITORS OF TYPE l METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM UNIVERSITY OF WASHINGTON 2021-05-27 US disclosed
WO-2018237349-A1 INHIBITORS OF TYPED 1 METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM UNIVERSITY OF WASHINGTON (US) 2018-12-27 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-11584744-B2 Inhibitors of type 1 methionyl-tRNA synthetase and methods of using them AARS1, EMG1, GARS1 KDM4E 1618/4885GAA 403/4885GLA 3529/4885
US-20210155617-A1 INHIBITORS OF TYPE l METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM AARS1, GARS1, MTR KDM4E 1423/4885GAA 380/4885GLA 3407/4885

“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.