SCHEMBL21963701

SCHEMBL21963701

CNC(=O)OCc1c(C)oc2c(N=C(c3ccccc3)c3ccccc3)cccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 5/20 0.36
TOP2B Q02880 5/20 0.36
GAA P10253 3/20 0.34
MAOA P21397 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PGR P06401 1/20 0.32
PTGS1 P23219 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP2C19 P33261 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
RECQL P46063 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
SCHEMBL22010747 0.81 ESR1 (0.38) GAAESR1ESR2KMT2AMAPT
SCHEMBL21964002 0.78 GAA (0.39) TOP2ATOP2BGAAMAOAALDH1A1
SCHEMBL21963700 0.77 KMT2A (0.39) GAAESR1ESR2ALDH1A1MEN1
SCHEMBL25707381 0.76 LMNA (0.39) GAAESR1ESR2ALDH1A1MAPK1
SCHEMBL22010512 0.73 GBA1 (0.34) GAAMEN1KMT2A
SCHEMBL21963757 0.73 EGFR (0.33) GAAMEN1KMT2A
SCHEMBL24923371 0.73 ESR1 (0.32) GAAESR1ESR2
SCHEMBL21963733 0.69 KMT2A (0.46) MEN1KMT2A
SCHEMBL15998404 0.63 EPHX1 (0.60) TOP2ATOP2BGAAALDH1A1PGR
Benzyl N-Methylcarbamate SCHEMBL645204 0.61 ALDH1A1 (0.62) TOP2ATOP2BALDH1A1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159519-A1 NOVEL COMPOUNDS AND THEIR USE DEBIOPHARM INTERNATIONAL S.A. (CH) 2023-05-25 US disclosed
US-20230035837-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2023-02-02 US disclosed
EP-4077324-A1 NOVEL COMPOUNDS AND THEIR USE Debiopharm International SA (CH) 2022-10-26 EP disclosed
EP-3880675-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF Debiopharm International SA (CH) 2021-09-22 EP disclosed
WO-2021123372-A1 NOVEL COMPOUNDS AND THEIR USE DEBIOPHARM INTERNATIONAL S.A. (CH) 2021-06-24 WO disclosed
WO-2020099341-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2020-05-22 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-20230159519-A1 NOVEL COMPOUNDS AND THEIR USE LSS, PGLS, LDHB TOP2A 592/4885TOP2B 243/4885GAA 254/4885
US-20230035837-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF GMPS, GNE, GANC TOP2A 244/4885TOP2B 368/4885GAA 50/4885

“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.