SCHEMBL22010908

SCHEMBL22010908

COC(=O)C(C)(C)CNc1cc(Br)cnc1N

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 2/20 0.39
TMPRSS15 P98073 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.37
GFER P55789 1/20 0.37
SHMT2 P34897 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL31033320 1.00 HSD17B10 (0.39) HSD17B10GAAKDM4ETMPRSS15KMT2A
SCHEMBL22010745 0.88 HSD17B10 (0.39) HSD17B10GAAKDM4EKMT2AMEN1
SCHEMBL31033322 0.88 HSD17B10 (0.39) HSD17B10GAAKDM4EKMT2AMEN1
SCHEMBL22010914 0.86 NPC1 (0.39) HSD17B10GAAKDM4EKMT2AMEN1
SCHEMBL31033302 0.86 NPC1 (0.39) HSD17B10GAAKDM4EKMT2AMEN1
SCHEMBL22010471 0.81 HSD17B10 (0.38) HSD17B10GAAKDM4EKMT2AMEN1
SCHEMBL22010910 0.80 CYP2C19 (0.40) GAATMPRSS15KMT2AMEN1POLB
SCHEMBL2840320 0.78 SHMT2 (0.40) HSD17B10GAAKDM4EKMT2AMEN1
SCHEMBL22010713 0.78 HSD17B10 (0.36) HSD17B10GAAKDM4EKMT2AMEN1
SCHEMBL31497996 0.77 KDM4E (0.45) HSD17B10GAAKDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-113272302-A Antibiotic compounds, process for their manufacture, pharmaceutical compositions containing them and their use 德彪药业国际股份公司 2021-08-17 CN 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 (1 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-20230035837-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF GMPS, GNE, GANC HSD17B10 578/4885GAA 50/4885KDM4E 2556/4885

“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.