SCHEMBL6496874

SCHEMBL6496874

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.41
FEN1 P39748 2/20 0.41
ERCC4 Q92889 2/20 0.41
KMT2A Q03164 2/20 0.38
RNASEH1 O60930 1/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
PABPC1 P11940 1/20 0.36
XBP1 P17861 1/20 0.36
NFKB1 P19838 1/20 0.36
HTT P42858 1/20 0.36
SMARCA2 P51531 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
TDP1 Q9NUW8 2/20 0.35

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 0.85 KMT2A (0.42) ERCC1FEN1ERCC4KMT2ARNASEH1
SCHEMBL6496868 0.80 KMT2A (0.38) ERCC1FEN1ERCC4KMT2ARNASEH1
SCHEMBL6427039 0.77 ERCC1 (0.47) ERCC1FEN1ERCC4KMT2ARNASEH1
SCHEMBL29361703 0.75 ERCC1 (0.62) ERCC1FEN1ERCC4KMT2ARNASEH1
SCHEMBL1410 0.75 ERCC1 (0.62) ERCC1FEN1ERCC4KMT2ARNASEH1
SCHEMBL710689 0.75 ERCC1 (0.62) ERCC1FEN1ERCC4KMT2ARNASEH1
Water SCHEMBL4444794 0.73 ERCC1 (0.60) ERCC1FEN1ERCC4KMT2ARNASEH1
SCHEMBL2824836 0.73 ERCC1 (0.60) ERCC1FEN1ERCC4KMT2ARNASEH1
SCHEMBL1279494 0.73 ERCC1 (0.60) ERCC1FEN1ERCC4KMT2ARNASEH1
SCHEMBL2824834 0.73 ERCC1 (0.60) ERCC1FEN1ERCC4KMT2ARNASEH1

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 ERCC1 1486/4885FEN1 916/4885ERCC4 2391/4885
US-20020156318-A1 Process and intermediates HGFAC, MTAP, SPR ERCC1 943/4885FEN1 667/4885ERCC4 686/4885

“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.