SCHEMBL20113587

SCHEMBL20113587

CC(C)C(C)NC(=O)CCCC(O[N+](=O)[O-])O[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 3/20 0.34
FAAH O00519 2/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ASAH2 Q9NR71 1/20 0.32
PLA2G10 O15496 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 2/20 0.32
ASAH1 Q13510 1/20 0.31
ACER2 Q5QJU3 1/20 0.31

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
SCHEMBL20109406 0.89 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL20100735 0.85 SMN1; SMN2 (0.34) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL20104860 0.83 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL20104863 0.77 KMT2A (0.40) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL20100739 0.72 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL20104861 0.71 PTGS2 (0.36) ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL8298120 0.70 FAAH (0.59) ALDH1A1SMN1; SMN2MAPTKMT2AFAAH
SCHEMBL20729541 0.69 KMT2A (0.42) ALDH1A1SMN1; SMN2LMNAKMT2AFAAH
SCHEMBL24115710 0.68 CA1 (0.44) ALDH1A1SMN1; SMN2KMT2AFAAHMEN1
SCHEMBL20100738 0.68 SMN1; SMN2 (0.34) ALDH1A1SMN1; SMN2LMNAMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118676-A1 NITRIC OXIDE DONATING DERIVATIVES OF LATANOPROST FREE ACID NICOX S.A. (FR) 2018-05-03 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 (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-20180118676-A1 NITRIC OXIDE DONATING DERIVATIVES OF LATANOPROST FREE ACID PTGIS, NOS2, NOS1 ALDH1A1 665/4885SMN1; SMN2 4557/4885LMNA 2439/4885

“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.