SCHEMBL13396367

SCHEMBL13396367

NC(Cc1ccc(O)cc1)C(=O)OCCNCCO[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.44
MMP2 P08253 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
HDAC8 Q9BY41 2/20 0.36
PTGS2 P35354 1/20 0.36
GRIA1 P42261 1/20 0.35
ERAP2 Q6P179 1/20 0.35
LNPEP Q9UIQ6 1/20 0.35

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
SCHEMBL1832905 0.86 SLC7A5 (0.48) SLC7A5MMP2ALDH1A1HDAC8PTGS2
SCHEMBL1945444 0.86 SLC7A5 (0.48) SLC7A5MMP2ALDH1A1HDAC8PTGS2
SCHEMBL13396364 0.86 SLC7A5 (0.48) SLC7A5MMP2ALDH1A1HDAC8PTGS2
SCHEMBL13396369 0.85 SLC7A5 (0.47) SLC7A5MMP2ALDH1A1HDAC8PTGS2
SCHEMBL13396373 0.85 SLC7A5 (0.47) SLC7A5MMP2ALDH1A1HDAC8PTGS2
SCHEMBL13396365 0.81 SLC7A5 (0.50) SLC7A5MMP2ALDH1A1ESR1ESR2
SCHEMBL13416633 0.80 SLC7A5 (0.47) SLC7A5ESR1ESR2HDAC8GRIA1
SCHEMBL17738628 0.78 SLC7A5 (0.65) SLC7A5ESR1ESR2HDAC8
SCHEMBL13396363 0.77 MEN1 (0.33)
SCHEMBL1067685 0.77 SLC7A5 (0.56) SLC7A5MMP2ALDH1A1ESR1ESR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266820-B2 Nitric oxide donor compounds NICOX SCIENCE IRELAND (IE) 2016-02-23 US disclosed
US-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX SA (FR) 2014-09-25 US disclosed
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-04-22 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 (2 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-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 SLC7A5 4040/4885MMP2 2935/4885ALDH1A1 360/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 SLC7A5 4181/4885MMP2 2892/4885ALDH1A1 434/4885

“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.