SCHEMBL21775443

SCHEMBL21775443

O=C(N[C@H](C(=O)O)c1ccc(Cl)cc1)c1[nH]nc(-c2ccc(O)cc2)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
FOLH1 Q04609 1/20 0.36
NAALAD2 Q9Y3Q0 1/20 0.36
ATM Q13315 1/20 0.35
BDKRB1 P46663 2/20 0.35
HSP90AA1 P07900 1/20 0.35
MAP2K4 P45985 1/20 0.34
MEN1 O00255 3/20 0.34
MAPT P10636 2/20 0.34
ALOX12 P18054 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PLTP P55058 1/20 0.34
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
TACR3 P29371 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 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
SCHEMBL21775444 1.00 KMT2A (0.39) KMT2AFOLH1NAALAD2ATMBDKRB1
SCHEMBL21775446 0.88 HSP90AA1 (0.48) KMT2AHSP90AA1MEN1MAPTALOX12
SCHEMBL21775445 0.88 HSP90AA1 (0.48) KMT2AHSP90AA1MEN1MAPTALOX12
SCHEMBL21787695 0.80 HSP90AA1 (0.32) KMT2AHSP90AA1MEN1MAPTALOX12
SCHEMBL21775451 0.78 ALPL (0.56) MAPTGAA
SCHEMBL20565066 0.78 ALPL (0.56) MAPTGAA
SCHEMBL20565308 0.71 ALPL (0.61) ALDH1A1
SCHEMBL20565306 0.71 ALPL (0.61) ALDH1A1
SCHEMBL21787698 0.70 HSP90AA1 (0.45) KMT2AHSP90AA1MEN1MAPTALOX12
SCHEMBL6378865 0.67 CNR1 (0.60) KMT2AFOLH1NAALAD2MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230330065-A1 RelA Inhibitors for Biofilm Disruption DREXEL UNIVERSITY (US) 2023-10-19 US claimed
US-11666555-B2 RelA inhibitors for biofilm disruption DREXEL UNIVERSITY (US) 2023-06-06 US claimed
US-20200069647-A1 RelA Inhibitors for Biofilm Disruption DREXEL UNIVERSITY (US) 2020-03-05 US claimed
US-20230330065-A1 RelA Inhibitors for Biofilm Disruption DREXEL UNIVERSITY (US) 2023-10-19 US disclosed
US-20230330065-A1 RelA Inhibitors for Biofilm Disruption DREXEL UNIVERSITY (US) 2023-10-19 US disclosed
US-20230330065-A1 RelA Inhibitors for Biofilm Disruption DREXEL UNIVERSITY (US) 2023-10-19 US disclosed
US-11666555-B2 RelA inhibitors for biofilm disruption DREXEL UNIVERSITY (US) 2023-06-06 US disclosed
US-11666555-B2 RelA inhibitors for biofilm disruption DREXEL UNIVERSITY (US) 2023-06-06 US disclosed
US-11666555-B2 RelA inhibitors for biofilm disruption DREXEL UNIVERSITY (US) 2023-06-06 US disclosed
US-20200069647-A1 RelA Inhibitors for Biofilm Disruption DREXEL UNIVERSITY (US) 2020-03-05 US disclosed
US-20200069647-A1 RelA Inhibitors for Biofilm Disruption DREXEL UNIVERSITY (US) 2020-03-05 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 (3 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-11666555-B2 RelA inhibitors for biofilm disruption RELA, NFKBIA, NFKB1 KMT2A 1797/4885FOLH1 1933/4885NAALAD2 27/4885
US-20230330065-A1 RelA Inhibitors for Biofilm Disruption RELA, NFKBIA, NFKB1 KMT2A 1797/4885FOLH1 1933/4885NAALAD2 27/4885
US-20200069647-A1 RelA Inhibitors for Biofilm Disruption RELA, NFKBIA, NFKB1 KMT2A 1797/4885FOLH1 1933/4885NAALAD2 27/4885

“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.