SCHEMBL5154489

SCHEMBL5154489

O=[N+]([O-])OC1CCN(CCO)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.38
GSR P00390 6/20 0.37
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 2/20 0.32
PKM P14618 1/20 0.32
HSD11B1 P28845 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL5148816 0.90 GSR (0.35) GSRCYP2C19KDM4ELMNAKMT2A
SCHEMBL9330490 0.82 ALOX15 (0.41) GSRCA2
SCHEMBL5153918 0.82 GSR (0.33) GSRTMEM97
SCHEMBL9330677 0.82 HRH3 (0.40) SMN1; SMN2
SCHEMBL4585987 0.80 ALDH1A1 (0.35) GSRCYP2C19ALDH1A1KDM4ESMN1; SMN2
SCHEMBL9330735 0.79 KEAP1 (0.39) SMN1; SMN2
SCHEMBL9330340 0.78 SMN1; SMN2 (0.40) GSRALDH1A1SMN1; SMN2KMT2AHSD11B1
SCHEMBL4587607 0.78 KDM4E (0.38) CYP2C19ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL9330373 0.77 TMEM97 (0.41) ALDH1A1SMN1; SMN2KMT2ATMEM97MEN1
SCHEMBL4586997 0.77 KDM4E (0.40) CYP2C19KDM4EKMT2ATMEM97

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
US-20070037821-A1 Nitrosated glutamic acid compounds, compositions and methods of use NITROMED, INC. (US) 2007-02-15 US disclosed
US-20070037821-A1 Nitrosated glutamic acid compounds, compositions and methods of use NITROMED, INC. (US) 2007-02-15 US disclosed
US-20070037821-A1 Nitrosated glutamic acid compounds, compositions and methods of use NITROMED, INC. (US) 2007-02-15 US disclosed
EP-1673384-A4 NITROSATED GLUTAMIC ACID COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2007-02-07 EP disclosed
EP-1673384-A2 NITROSATED GLUTAMIC ACID COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2006-06-28 EP disclosed
WO-2005030135-A2 NITROSATED GLUTAMIC ACID COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-04-07 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-20070037821-A1 Nitrosated glutamic acid compounds, compositions and methods of use GLS, NOS2, NOS1 SLC18A3 400/4885GSR 18/4885CYP2C19 3149/4885

“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.