SCHEMBL22010491

SCHEMBL22010491

Nc1ncc(Br)cc1NCC1(C(=O)O)CC(O)C1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
PIK3C3 Q8NEB9 1/20 0.31
GFER P55789 1/20 0.31
MEN1 O00255 2/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL21963981 0.87 HSD17B10 (0.35) KMT2AHTTKDM4EHSD17B10PIK3C3
SCHEMBL25706085 0.71 APEX1 (0.49) KMT2AHTTKDM4EHSD17B10GFER
SCHEMBL21963776 0.70 GAA (0.32) GAA
SCHEMBL23287244 0.69 HTT (0.39) KMT2AHTT
SCHEMBL25299222 0.68 KMT2A (0.47) KMT2AHTTKDM4EHSD17B10MEN1
SCHEMBL22010471 0.68 HSD17B10 (0.38) KMT2AHTTKDM4EHSD17B10GFER
SCHEMBL22010914 0.68 NPC1 (0.39) KMT2AHTTKDM4EHSD17B10GFER
SCHEMBL31033302 0.68 NPC1 (0.39) KMT2AHTTKDM4EHSD17B10GFER
SCHEMBL14905700 0.67 PTGER4 (0.48) KMT2AHTTKDM4EPIK3C3
SCHEMBL13728497 0.66 KDM4E (0.41) KDM4EMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113272302-B Antibiotic compound, method for producing same, pharmaceutical composition containing same, and use thereof 德彪药业国际股份公司 2024-08-13 CN 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
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 KMT2A 3401/4885HTT 2003/4885KDM4E 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.