SCHEMBL5359165

SCHEMBL5359165

COc1ccc(NS(=O)(=O)c2ccc(OCC(N)=O)c(OCC(N)=O)c2)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
MAPT P10636 5/20 0.51
MEN1 O00255 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
MAPK1 P28482 2/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
THRB P10828 1/20 0.48
KCNMA1 Q12791 1/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
ALDH3A1 P30838 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 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
SCHEMBL5359157 0.92 MAPK1 (0.52) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL5368110 0.90 MAPT (0.57) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL5370589 0.85 MAPK1 (0.53) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL5359253 0.83 MAPK1 (0.55) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL5378016 0.81 MAPT (0.51) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL5361866 0.81 MAPK1 (0.58) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL5363756 0.81 LMNA (0.62) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL8569607 0.80 RAB9A (0.56) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL21708265 0.79 MAPT (0.62) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL21708243 0.77 KEAP1 (0.65) KMT2AMAPTMEN1SMN1; SMN2LMNA

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
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 1672/4885MAPT 4649/4885MEN1 2438/4885

“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.