SCHEMBL5494501

SCHEMBL5494501

O=C(O)CN1CCN(CCCO[N+](=O)[O-])CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
MAPK1 P28482 2/20 0.36
CYP1A2 P05177 1/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ACHE P22303 1/20 0.34
MAOB P27338 1/20 0.34
TMEM97 Q5BJF2 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 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
SCHEMBL4593885 0.83 SMN1; SMN2 (0.39) SMN1; SMN2MAPK1CYP1A2KDM4EALDH1A1
SCHEMBL4594912 0.83 ALDH1A1 (0.38) SMN1; SMN2MAPK1CYP1A2KDM4EALDH1A1
SCHEMBL4594020 0.81 PAOX (0.38) SMN1; SMN2MAPK1CYP1A2KDM4EALDH1A1
SCHEMBL4594022 0.77 HRH2 (0.38) SMN1; SMN2MAPK1KDM4EALDH1A1HRH2
SCHEMBL9644791 0.76 HSD17B10 (0.52) HSD17B10SMN1; SMN2MAPK1CYP1A2ALDH1A1
SCHEMBL4594578 0.76 SMN1; SMN2 (0.39) SMN1; SMN2MAPK1CYP1A2KDM4EALDH1A1
SCHEMBL4593888 0.76 HRH2 (0.37) SMN1; SMN2MAPK1KDM4EALDH1A1HRH2
SCHEMBL18107078 0.75 ACHE (0.35) CYP1A2HRH2HRH1HRH3ACHE
SCHEMBL4593996 0.75 MMP2 (0.39) SMN1; SMN2MAPK1CYP1A2KDM4EALDH1A1
SCHEMBL4594907 0.75 HRH2 (0.37) SMN1; SMN2MAPK1KDM4EALDH1A1HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166605-B2 Probucol nitro-derivatives NICOX, S.A. (FR) 2007-01-23 US claimed
US-20060167003-A1 Probucol derivatives NICOX S.A. (FR) 2006-07-27 US claimed
US-20060167003-A1 Probucol derivatives NICOX S.A. (FR) 2006-07-27 US disclosed
EP-1521740-A2 PROBUCOL DERIVATIVES Nicox S.A. (FR) 2005-04-13 EP disclosed
WO-2003080568-A2 PROBUCOL DERIVATIVES NICOX S.A. (FR) 2003-10-02 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-20060167003-A1 Probucol derivatives PNLIP, APOB, LIPC HSD17B10 452/4885SMN1; SMN2 741/4885MAPK1 2788/4885

“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.