SCHEMBL13396641

SCHEMBL13396641

O=C(O)CNC(=O)CCCCC(CO[N+](=O)[O-])O[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.45
FAAH O00519 5/20 0.44
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RECQL P46063 2/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
APEX1 P27695 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
GPR18 Q14330 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL13216744 0.84 PTGS1 (0.37) MEN1KMT2APTGS1PTGS2ALDH1A1
SCHEMBL13396642 0.82 HDAC3 (0.36) PTGS1PTGS2HDAC3HDAC1HDAC2
SCHEMBL20113580 0.81 FAAH (0.39) FAAHPTGS1PTGS2HPGDHDAC3
SCHEMBL398591 0.80 PTGS2 (0.38) MEN1KMT2APTGS1PTGS2BLM
SCHEMBL398399 0.80 PTGS2 (0.38) MEN1KMT2APTGS1PTGS2BLM
SCHEMBL636113 0.80 PTGS2 (0.38) MEN1KMT2APTGS1PTGS2BLM
SCHEMBL10119571 0.79 CNR1 (0.36) FAAHPTGS1PTGS2
SCHEMBL20104867 0.79 HPGD (0.39) RECQLPTGS1PTGS2ALDH1A1POLB
SCHEMBL13397048 0.78 NOD1 (0.42) TDP1
SCHEMBL20104906 0.78 HPGD (0.42) MEN1KMT2APTGS1PTGS2ALDH1A1

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 PTPN1 2627/4885FAAH 1868/4885MEN1 438/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 PTPN1 2321/4885FAAH 2102/4885MEN1 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.