SCHEMBL4871308

SCHEMBL4871308

O=C(Cl)OCc1ccc([N+](=O)[O-])o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 5/20 0.40
POLB P06746 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
HTT P42858 2/20 0.39
NFKB1 P19838 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
NFKB2 Q00653 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
RELA Q04206 1/20 0.39
MEN1 O00255 2/20 0.39
GLO1 Q04760 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL28692684 0.87 LMNA (0.53) LMNAALDH1A1L3MBTL1POLBTDP1
SCHEMBL436082 0.85 LMNA (0.51) LMNAALDH1A1L3MBTL1POLBTDP1
SCHEMBL28692686 0.85 LMNA (0.51) LMNAALDH1A1L3MBTL1POLBTDP1
SCHEMBL11731699 0.84 LMNA (0.47) LMNAALDH1A1L3MBTL1POLBTDP1
SCHEMBL11725915 0.81 LMNA (0.47) LMNAALDH1A1L3MBTL1POLBTDP1
SCHEMBL26974831 0.79 LMNA (0.45) LMNAALDH1A1L3MBTL1POLBTDP1
SCHEMBL11629193 0.78 LMNA (0.54) LMNAALDH1A1L3MBTL1POLBTDP1
Hydrochloric Acid SCHEMBL29682265 0.78 LMNA (0.44) LMNAALDH1A1L3MBTL1POLBTDP1
SCHEMBL14582812 0.77 LMNA (0.53) LMNAALDH1A1L3MBTL1POLBTDP1
SCHEMBL1134756 0.76 LMNA (0.56) LMNAALDH1A1L3MBTL1POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111153946-B N-azido acetyl-D-mannosamine derivative, preparation method thereof and application thereof in detection of nitroreductase 中国科学院化学研究所 2021-08-17 CN disclosed
CN-111153946-A N-azido acetyl-D-mannosamine derivative, preparation method thereof and application thereof in detection of nitroreductase 中国科学院化学研究所 2020-05-15 CN disclosed
US-20080145372-A1 Bioreductively-Activated Prodrugs ANGIOGENE, PHARMACEUTICALS LIMITED (GB) 2008-06-19 US disclosed
WO-2007137196-A2 TUBULIN BINDING ANTI CANCER COMPOUNDS AND PRODRUGS THEREOF THRESHOLD PHARMACEUTICALS, INC. (US) 2007-11-29 WO disclosed
EP-1799698-A1 BIOREDUCTIVELY-ACTIVATED PRODRUGS Angiogene Pharmaceuticals Limited (GB) 2007-06-27 EP disclosed
WO-2006032921-A1 BIOREDUCTIVELY-ACTIVATED PRODRUGS ANGIOGENE PHARMACEUTICALS LIMITED (GB) 2006-03-30 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-20080145372-A1 Bioreductively-Activated Prodrugs NME2, PNP, NUDT1 LMNA 1716/4885ALDH1A1 219/4885L3MBTL1 3636/4885

“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.