SCHEMBL5359157

SCHEMBL5359157

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
LMNA P02545 5/20 0.47
KMT2A Q03164 4/20 0.47
TSHR P16473 2/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 4/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
AKR1B10 O60218 1/20 0.45
AKR1B1 P15121 1/20 0.45
AKR1C4 P17516 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 1/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL5359165 0.92 KMT2A (0.51) MAPK1LMNAKMT2ATSHRHTT
SCHEMBL5361866 0.90 MAPK1 (0.58) MAPK1LMNAKMT2ATSHRHTT
SCHEMBL5359253 0.85 MAPK1 (0.55) MAPK1LMNAKMT2ATSHRHTT
SCHEMBL5370589 0.83 MAPK1 (0.53) MAPK1LMNAKMT2ATSHRHTT
SCHEMBL5368110 0.81 MAPT (0.57) MAPK1LMNAKMT2ATSHRHTT
SCHEMBL5363756 0.81 LMNA (0.62) LMNAKMT2AHTTALDH1A1POLB
SCHEMBL5367210 0.80 MAPK1 (0.72) MAPK1LMNAKMT2ATSHRHTT
SCHEMBL5359164 0.80 MAPK1 (0.45) MAPK1LMNAKMT2ATSHRHTT
SCHEMBL8569607 0.78 RAB9A (0.56) MAPK1LMNAKMT2AHTTALDH1A1
SCHEMBL8568719 0.78 ALDH1A1 (0.49) MAPK1LMNAKMT2AHTTALDH1A1

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-7294716-B2 Process for preparing isomerically pure prodrugs of proton pump inhibitors ALLERGAN, INC. (US) 2007-11-13 US 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 MAPK1 1186/4885LMNA 1693/4885KMT2A 1672/4885

“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.