SCHEMBL5359164

SCHEMBL5359164

COc1ccc([N+](=O)[O-])c(NS(=O)(=O)c2ccc(OC(OCC(N)=O)C(N)=O)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
LMNA P02545 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FBP1 P09467 2/20 0.40
CASP6 P55212 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
SCHEMBL5359271 0.86 MAPK1 (0.47) MAPK1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL5361866 0.85 MAPK1 (0.58) MAPK1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL5359157 0.80 MAPK1 (0.52) MAPK1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL5367210 0.78 MAPK1 (0.72) MAPK1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL5368110 0.77 MAPT (0.57) MAPK1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL5359165 0.72 KMT2A (0.51) MAPK1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL5359701 0.71 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1TSHRHTT
SCHEMBL5763961 0.70 SMN1; SMN2 (0.53) MAPK1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL5368049 0.70 MAPK1 (0.63) MAPK1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL21708265 0.70 MAPT (0.62) MAPK1LMNASMN1; SMN2KMT2AMEN1

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 1693/4885SMN1; SMN2 2675/4885

“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.