SCHEMBL5369486

SCHEMBL5369486

COc1cccc(NC(C)=O)c1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
RORC P51449 1/20 0.48
HTT P42858 2/20 0.47
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
ALDH1A1 P00352 3/20 0.46
ATM Q13315 2/20 0.46
TRPV1 Q8NER1 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
EPHX1 P07099 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
MCL1 Q07820 1/20 0.45

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
SCHEMBL2220068 0.88 MEN1 (0.52) KMT2AMEN1RORCHTTKDM4E
SCHEMBL2220075 0.88 MEN1 (0.52) KMT2AMEN1RORCHTTKDM4E
SCHEMBL13732777 0.85 CYP19A1 (0.43) KMT2AMEN1HTTALDH1A1LMNA
Nitric Acid SCHEMBL28687030 0.83 KMT2A (0.59) KMT2AMEN1RORCHTTKDM4E
SCHEMBL13705663 0.82 SMN1; SMN2 (0.49) KMT2AMEN1KDM4EPOLBALDH1A1
SCHEMBL7975763 0.81 ALDH1A1 (0.56) KMT2AMEN1HTTKDM4EL3MBTL1
SCHEMBL1420955 0.81 PKM (0.46) KMT2AMEN1HTTALDH1A1TRPV1
SCHEMBL11620684 0.81 ALDH1A1 (0.58) KMT2AMEN1TDP1POLBALDH1A1
SCHEMBL1247252 0.81 PKM (0.56) KMT2AMEN1HTTTDP1L3MBTL1
SCHEMBL11876061 0.81 TDP1 (0.50) KMT2AMEN1HTTKDM4ETDP1

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-107673976-B The Novel synthesis technology of 2- amino -4- acetamido methyl phenyl ethers anisole 安徽奥瑞化工有限公司 2019-09-20 CN disclosed
CN-107673976-A The Novel synthesis technology of the acetamido methyl phenyl ethers anisole of 2 amino 4 安徽奥瑞化工有限公司 2018-02-09 CN disclosed
US-7294716-B2 Process for preparing isomerically pure prodrugs of proton pump inhibitors ALLERGAN, INC. (US) 2007-11-13 US disclosed
EP-1644352-A1 PROCESS FOR PREPARING ISOMERICALLY PURE PRODRUGS OF PROTON PUMP INHIBITORS Allergan, Inc. (US) 2006-04-12 EP disclosed
WO-2005016917-A1 PROCESS FOR PREPARING ISOMERICALLY PURE PRODRUGS OF PROTON PUMP INHIBITORS ALLERGAN, INC. (US) 2005-02-24 WO disclosed
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors ALEVIUM PHARMACEUTICALS, INC. 2005-02-17 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-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 KMT2A 1672/4885MEN1 2438/4885RORC 1589/4885

“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.