SCHEMBL14224159

SCHEMBL14224159

NC[C@H](NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)cc1)C(=O)NO

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.50
HTT P42858 1/20 0.46
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
HPGDS O60760 3/20 0.45
MME P08473 1/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
PLAT P00750 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ABCB1 P08183 2/20 0.43
KMT2A Q03164 1/20 0.43
ABCC1 P33527 1/20 0.42
P2RX7 Q99572 1/20 0.41

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
SCHEMBL9925877 0.89 MMP2 (0.43) HDAC2MMP2MMP9MMP8MME
SCHEMBL404504 0.83 FFAR1 (0.44) HTTALDH1A1MAPT
SCHEMBL399936 0.83 FFAR1 (0.44) HTTALDH1A1MAPT
SCHEMBL1109400 0.83 CTSB (0.47) HPGDS
SCHEMBL1109277 0.82 HPGDS (0.65) HPGDS
SCHEMBL1109563 0.82 HPGDS (0.49) HPGDSMMEALDH1A1MAPT
SCHEMBL5944081 0.81 HDAC2 (0.59) HDAC2MMP2MMP9MMP8PLG
SCHEMBL401005 0.81 HPGDS (0.54) HDAC2HPGDSL3MBTL1
SCHEMBL401441 0.81 HPGDS (0.54) HDAC2HPGDSL3MBTL1
SCHEMBL1109286 0.81 CTSB (0.51) HPGDSL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS HDAC2 2776/4885HTT 4781/4885MMP2 450/4885

“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.