SCHEMBL22010914

SCHEMBL22010914

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
HSD17B10 Q99714 4/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 4/20 0.38
HTT P42858 1/20 0.38
GFER P55789 1/20 0.38
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 3/20 0.36
MAP4K4 O95819 1/20 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
SCHEMBL31033302 1.00 NPC1 (0.39) NPC1HSD17B10GAAKDM4EKMT2A
SCHEMBL22010471 0.89 HSD17B10 (0.38) NPC1HSD17B10GAAKDM4EKMT2A
SCHEMBL22010908 0.86 HSD17B10 (0.39) NPC1HSD17B10GAAKDM4EKMT2A
SCHEMBL31033320 0.86 HSD17B10 (0.39) NPC1HSD17B10GAAKDM4EKMT2A
SCHEMBL22010713 0.85 HSD17B10 (0.36) NPC1HSD17B10GAAKDM4EKMT2A
SCHEMBL31033322 0.80 HSD17B10 (0.39) NPC1HSD17B10GAAKDM4EKMT2A
SCHEMBL22010745 0.80 HSD17B10 (0.39) NPC1HSD17B10GAAKDM4EKMT2A
SCHEMBL31033301 0.79 POLB (0.33) GAAKMT2AHTTMEN1
Lithium Ion SCHEMBL31497986 0.77 HSD17B10 (0.37) NPC1HSD17B10GAAKDM4EKMT2A
SCHEMBL25706085 0.75 APEX1 (0.49) HSD17B10KDM4EKMT2AHTTGFER

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 NPC1 226/4885HSD17B10 578/4885GAA 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.