SCHEMBL22010722

SCHEMBL22010722

CC(CO)(Nc1cc(Br)cnc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.32
GAA P10253 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
POLB P06746 1/20 0.31
CYP2C19 P33261 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL31033292 1.00 MAPT (0.32) MAPTGAASMN1; SMN2POLBCYP2C19
SCHEMBL21963917 0.85 MAPT (0.37) MAPTGAASMN1; SMN2POLBCYP2C19
SCHEMBL21963967 0.81 GAA (0.33) MAPTGAASMN1; SMN2POLBCYP2C19
SCHEMBL19209883 0.80 MAPT (0.39) MAPTGAASMN1; SMN2POLBCYP2C19
SCHEMBL31033301 0.79 POLB (0.33) MAPTGAASMN1; SMN2POLBCYP2C19
SCHEMBL29958164 0.76 AAK1 (0.39) MAPTGAASMN1; SMN2CYP2C19MEN1
SCHEMBL16563654 0.74 GAA (0.40) MAPTGAASMN1; SMN2POLBCYP2C19
SCHEMBL16563656 0.74 GAA (0.40) MAPTGAASMN1; SMN2POLBCYP2C19
SCHEMBL22011508 0.74 ALDH1A1 (0.30) SMN1; SMN2
SCHEMBL25365605 0.72 ALDH1A1 (0.40) MAPTGAASMN1; SMN2POLBMEN1

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 MAPT 1774/4885GAA 50/4885SMN1; 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.