SCHEMBL20100738

SCHEMBL20100738

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

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL20104861 0.85 PTGS2 (0.36) SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL20100744 0.81 HPGD (0.37) SMN1; SMN2ALDH1A1LMNAGAAHPGD
SCHEMBL20109405 0.78 HPGD (0.40) SMN1; SMN2ALDH1A1LMNAMAPTGAA
SCHEMBL20100739 0.78 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL20104863 0.75 KMT2A (0.40) SMN1; SMN2ALDH1A1LMNAMAPTGAA
SCHEMBL20104859 0.74 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1LMNAMAPTGAA
SCHEMBL20104860 0.73 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL12433420 0.71 ALDH1A1 (0.42) ALDH1A1
SCHEMBL2010166 0.71 MEN1 (0.43) SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL26502774 0.69 MEN1 (0.38) SMN1; SMN2ALDH1A1MAPTGAAHPGD

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 2 patents. 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
US-20180118677-A1 NITRIC OXIDE DONATING DERIVATIVES OF FLUPROSTENOL 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 (2 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-20180118677-A1 NITRIC OXIDE DONATING DERIVATIVES OF FLUPROSTENOL PTGIS, NOS2, PTGIR SMN1; SMN2 4789/4885ALDH1A1 584/4885LMNA 3760/4885
US-20180118676-A1 NITRIC OXIDE DONATING DERIVATIVES OF LATANOPROST FREE ACID PTGIS, NOS2, NOS1 SMN1; SMN2 4557/4885ALDH1A1 665/4885LMNA 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.