SCHEMBL6496868

SCHEMBL6496868

CN(C)C(=O)[NH+](C)C.F[B-](F)(F)F.O=C1c2ccccc2C(=O)N1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ERCC1 P07992 2/20 0.38
FEN1 P39748 2/20 0.38
ERCC4 Q92889 2/20 0.38
RNASEH1 O60930 1/20 0.35
KEAP1 Q14145 1/20 0.35
ALDH1A1 P00352 3/20 0.33
LMNA P02545 3/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
XBP1 P17861 2/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PABPC1 P11940 1/20 0.33
NFKB1 P19838 1/20 0.33
SMARCA2 P51531 1/20 0.33
NFKB2 Q00653 1/20 0.33

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
SCHEMBL6496871 0.84 KMT2A (0.42) KMT2AMEN1SMN1; SMN2ERCC1FEN1
SCHEMBL6496874 0.80 ERCC1 (0.41) KMT2AMEN1SMN1; SMN2ERCC1FEN1
SCHEMBL288730 0.74 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL6427039 0.73 ERCC1 (0.47) KMT2AMEN1ERCC1FEN1ERCC4
SCHEMBL1410 0.72 ERCC1 (0.62) KMT2AMEN1ERCC1FEN1ERCC4
SCHEMBL710689 0.72 ERCC1 (0.62) KMT2AMEN1ERCC1FEN1ERCC4
SCHEMBL29361703 0.72 ERCC1 (0.62) KMT2AMEN1ERCC1FEN1ERCC4
Acetic Acid SCHEMBL2369439 0.70 ERCC1 (0.52) KMT2AMEN1ERCC1FEN1ERCC4
SCHEMBL2824836 0.70 ERCC1 (0.60) KMT2AMEN1ERCC1FEN1ERCC4
SCHEMBL2824834 0.70 ERCC1 (0.60) KMT2AMEN1ERCC1FEN1ERCC4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884874-B2 Process and intermediates SMITHKLINE BEECHAM CORPORATION (US) 2005-04-26 US disclosed
US-20040014980-A1 Such as n-methyl-alanine derivatives; for preparing antibody/maytansinoid complexes SMITHKLINE BEECHAM PLC 2004-01-22 US disclosed
US-6570024-B2 N-methyl-L-alanine derivatives derivatives used for preparing cell binding agent/maytansinoid complexes SMITHKLINE BEECHAM CORPORATION 2003-05-27 US disclosed
US-20020156318-A1 Process and intermediates GLAXOSMITHKLINE LLC 2002-10-24 US 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-20040014980-A1 Such as n-methyl-alanine derivatives; for preparing antibody/maytansinoid complexes HGFAC, ANPEP, AAAS KMT2A 1018/4885MEN1 386/4885SMN1; SMN2 1417/4885
US-20020156318-A1 Process and intermediates HGFAC, MTAP, SPR KMT2A 3698/4885MEN1 869/4885SMN1; SMN2 936/4885

“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.