SCHEMBL4049967

SCHEMBL4049967

CC(C)(C)OC(=O)NC1CCN(C(=O)COC(=O)Oc2cccc(CO[N+](=O)[O-])c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 4/20 0.45
PARP1 P09874 2/20 0.39
MCL1 Q07820 1/20 0.39
CACNA1B Q00975 1/20 0.38
NPC1L1 Q9UHC9 2/20 0.38
DRD2 P14416 1/20 0.38
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
THRB P10828 1/20 0.37
NAMPT P43490 1/20 0.37
KCNA3 P22001 1/20 0.37

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
SCHEMBL4056141 0.81 TMEM97 (0.48) TMEM97THRBNAMPT
SCHEMBL4053255 0.75 CTSK (0.37) MCL1DRD2KMT2ATHRBNAMPT
SCHEMBL4046983 0.73 CTSK (0.38) PARP1NPC1L1DRD2KMT2ANAMPT
SCHEMBL4533211 0.72 TMEM97 (0.34) TMEM97
SCHEMBL4047981 0.72 TSHR (0.41) MCL1DRD2KMT2ANAMPTKCNA3
SCHEMBL29260074 0.70 KMT2A (0.49) KMT2AL3MBTL1NAMPTKCNA3
SCHEMBL3278450 0.70 ACACB (0.43) TMEM97CACNA1BDRD2
SCHEMBL29260219 0.70 PDE4B (0.49) KMT2AL3MBTL1NAMPTKCNA3
SCHEMBL13396334 0.70 KLK7 (0.48) TMEM97KMT2A
SCHEMBL951538 0.68 KMT2A (0.59) KMT2AL3MBTL1KCNA3

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 TMEM97 1514/4885PARP1 3100/4885MCL1 4506/4885

“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.