SCHEMBL22010470

SCHEMBL22010470

CC(C)(C)OC(=O)/C=C/c1cnc2c(c1)NC(C)(C)C(=O)N2

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
NR1I2 O75469 1/20 0.32
PGR P06401 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CYP2C9 P11712 1/20 0.32
SLC6A2 P23975 1/20 0.32
TBXAS1 P24557 1/20 0.32
CYP2C19 P33261 1/20 0.32
DRD3 P35462 1/20 0.32
OPRK1 P41145 1/20 0.32
PDE4D Q08499 1/20 0.32
KCNH2 Q12809 1/20 0.32
ESR1 P03372 1/20 0.32

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
SCHEMBL21963998 0.84 KDM4E (0.33) KDM4EKMT2ASMN1; SMN2
SCHEMBL15690608 0.84 MAP3K11 (0.41) KDM4EKMT2ASMN1; SMN2LMNAHTT
SCHEMBL15690609 0.84 MAP3K11 (0.41) KDM4EKMT2ASMN1; SMN2LMNAHTT
SCHEMBL21963751 0.84 KDM4E (0.34) KDM4EKMT2ASMN1; SMN2
SCHEMBL22010916 0.84
SCHEMBL31033280 0.84
SCHEMBL30161226 0.84
SCHEMBL22010721 0.83 RAB9A (0.41) KDM4ESMN1; SMN2CYP3A4ESR1
SCHEMBL16403841 0.80
SCHEMBL1255042 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12545672-B2 Antibiotic compounds, methods of manufacturing the same, pharmaceutical compositions containing the same and uses thereof DEBIOPHARM INTERNATIONAL S.A. (CH) 2026-02-10 US disclosed
EP-3880675-B1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INT SA (CH) 2024-11-06 EP 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
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
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-12545672-B2 Antibiotic compounds, methods of manufacturing the same, pharmaceutical compositions containing the same and uses thereof MRPL21, EMG1, RRS1 KDM4E 1019/4885KMT2A 2355/4885SMN1; SMN2 2288/4885
US-20230035837-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF GMPS, GNE, GANC KDM4E 2556/4885KMT2A 3401/4885SMN1; SMN2 2528/4885

“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.