SCHEMBL4056141

SCHEMBL4056141

CC(C)(C)OC(=O)NC1CCN(C(=O)COC(=O)c2ccc(CO[N+](=O)[O-])cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.48
THRB P10828 10/20 0.46
CASP6 P55212 2/20 0.43
NAMPT P43490 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4048969 0.82 TMEM97 (0.46) TMEM97NAMPTCA12CA1CA2
SCHEMBL4049967 0.81 TMEM97 (0.45) TMEM97THRBNAMPT
SCHEMBL4047806 0.80 CA12 (0.52) TMEM97THRBCASP6CA12CA1
SCHEMBL4047981 0.76 TSHR (0.41) NAMPTCA1CA2
SCHEMBL4053255 0.76 CTSK (0.37) THRBNAMPTCA1CA2
SCHEMBL4046983 0.73 CTSK (0.38) NAMPTCA1CA2
SCHEMBL4047487 0.73 CA1 (0.50) TMEM97CA12CA1CA2CA4
SCHEMBL13525150 0.73 CA12 (0.56) TMEM97CA12CA1CA2CA4
SCHEMBL29260074 0.72 KMT2A (0.49) NAMPTRAB9A
SCHEMBL5207525 0.72 KDM4E (0.56) RAB9ALMNA

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 1514/4885THRB 1554/4885CASP6 2637/4885

“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.