SCHEMBL21963700

SCHEMBL21963700

Cc1oc2c(N=C(c3ccccc3)c3ccccc3)cccc2c1CN(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HPGD P15428 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL21963757 0.88 EGFR (0.33) KMT2AMEN1LMNAGAA
SCHEMBL25707381 0.88 LMNA (0.39) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL22010512 0.87 GBA1 (0.34) KMT2AMEN1LMNAGAAHDAC1
SCHEMBL24923371 0.84 ESR1 (0.32) GAAESR1ESR2
SCHEMBL21963733 0.80 KMT2A (0.46) KMT2AMEN1
SCHEMBL22010747 0.79 ESR1 (0.38) KMT2AGAAESR1ESR2
SCHEMBL21964000 0.78 MAOA (0.37) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL21963701 0.77 TOP2A (0.36) KMT2AMEN1ALDH1A1GAAHPGD
SCHEMBL29958536 0.76 GAA (0.34) GAA
SCHEMBL28604517 0.74 ESR2 (0.39) ALDH1A1LMNAGAANPSR1HPGD

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 KMT2A 275/4885MEN1 4447/4885ALDH1A1 1885/4885
US-20230035837-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF GMPS, GNE, GANC KMT2A 3401/4885MEN1 585/4885ALDH1A1 1858/4885

“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.