SCHEMBL4056154

SCHEMBL4056154

CC(C)(C)OC1CCN(C(=O)COC(=O)c2ccc(CO[N+](=O)[O-])cc2)C(N=C=O)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
THRB P10828 12/20 0.38
TMEM97 Q5BJF2 3/20 0.35
HPGD P15428 1/20 0.33
CASP6 P55212 1/20 0.33
BCHE P06276 1/20 0.33
LMNA P02545 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
SCHEMBL4533211 0.83 TMEM97 (0.34) TMEM97
SCHEMBL4046993 0.76
SCHEMBL4056141 0.70 TMEM97 (0.48) CA12CA1CA2CA4CA9
SCHEMBL4047806 0.69 CA12 (0.52) CA12CA1CA2CA4CA9
SCHEMBL6140020 0.66 HRH3 (0.45) LMNA
SCHEMBL13525150 0.65 CA12 (0.56) CA12CA1CA2CA4CA9
SCHEMBL2802142 0.64 CA12 (0.65) CA12CA1CA2CA4CA9
SCHEMBL2958012 0.64 CA12 (0.64) CA12CA1CA2CA4CA9
SCHEMBL8060480 0.63 GBA1 (0.39) BCHE
SCHEMBL4047490 0.61 CA12 (0.54) CA12CA1CA2CA4CA9

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-20090318432-A1 Nitrate esters of aminoalcohols SPEEDEL EXPERIMENTA AG (CH) 2009-12-24 US disclosed
EP-2061751-A1 NITRATE ESTERS OF AMINOALCOHOLS Novartis Ag (CH) 2009-05-27 EP disclosed
WO-2008031811-A1 NITRATE ESTERS OF AMINOALCOHOLS SPEEDEL EXPERIMENTA AG (CH) 2008-03-20 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-20090318432-A1 Nitrate esters of aminoalcohols NOS2, NOS1, NOS3 CA12 3887/4885CA1 4310/4885CA2 2054/4885

“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.