SCHEMBL22010910

SCHEMBL22010910

COC(=O)C(C)(C)CNc1cc(Br)cnc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.40
POLB P06746 4/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
TMPRSS15 P98073 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
RECQL P46063 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 3/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
LMNA P02545 1/20 0.31
CYP1A2 P05177 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
SCHEMBL21963737 0.89 CYP2C19 (0.39) CYP2C19POLBMAPTHTTNPSR1
SCHEMBL31033301 0.88 POLB (0.33) CYP2C19POLBMAPTHTTMEN1
SCHEMBL31033297 0.80 GLA (0.35) CYP2C19POLBMAPTHTTNPSR1
SCHEMBL22010482 0.80 GLA (0.35) CYP2C19POLBMAPTHTTNPSR1
SCHEMBL22010908 0.80 HSD17B10 (0.39) POLBHTTTMPRSS15MEN1KMT2A
SCHEMBL31033320 0.80 HSD17B10 (0.39) POLBHTTTMPRSS15MEN1KMT2A
SCHEMBL21963967 0.80 GAA (0.33) CYP2C19POLBMAPTHTTMEN1
SCHEMBL31497985 0.79 MAPT (0.35) POLBMAPTKMT2AALDH1A1GAA
SCHEMBL31497995 0.79 GLA (0.40) POLBMAPTHTTKMT2ARECQL
SCHEMBL22011508 0.78 ALDH1A1 (0.30) ALDH1A1LMNA

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 CYP2C19 98/4885POLB 629/4885MAPT 1774/4885

“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.