SCHEMBL13396334

SCHEMBL13396334

CC(C)(C)OC(=O)N1CCCC1C(=O)Oc1cccc(CO[N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.48
EPHX2 P34913 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SIRT2 Q8IXJ6 2/20 0.44
FKBP1A P62942 1/20 0.44
UCHL1 P09936 2/20 0.42
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
USP30 Q70CQ3 3/20 0.41
NPC1 O15118 1/20 0.41
HSD11B1 P28845 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40

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
SCHEMBL14135424 0.85 KLK7 (0.49) KLK7EPHX2MEN1KMT2AALDH1A1
SCHEMBL4434598 0.82 KLK7 (0.50) KLK7EPHX2MEN1KMT2AALDH1A1
SCHEMBL5566752 0.79 FKBP1A (0.39) FKBP1ATMEM97
SCHEMBL5566747 0.79 TMEM97 (0.40) MEN1KMT2AGAAFKBP1ATMEM97
SCHEMBL15349958 0.78 ALDH1A1 (0.61) KLK7EPHX2MEN1KMT2AALDH1A1
SCHEMBL10522174 0.78 ALDH1A1 (0.61) KLK7EPHX2MEN1KMT2AALDH1A1
SCHEMBL7359670 0.78 ALDH1A1 (0.50) KLK7EPHX2MEN1KMT2AALDH1A1
SCHEMBL14600149 0.77 FKBP1A (0.38) MEN1KMT2AFKBP1ATMEM97
SCHEMBL14600154 0.77 TMEM97 (0.38) FKBP1ATMEM97
SCHEMBL14600158 0.76 TMEM97 (0.37) FKBP1ATMEM97

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 KLK7 3501/4885EPHX2 1062/4885MEN1 438/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 KLK7 3515/4885EPHX2 1131/4885MEN1 615/4885

“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.