SCHEMBL20104859

SCHEMBL20104859

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.34
PTGS2 P35354 3/20 0.32
PTGS1 P23219 2/20 0.32
PKM P14618 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
SCHEMBL20104858 0.78 PKM (0.41) ALDH1A1SMN1; SMN2LMNAGAAHPGD
SCHEMBL20104863 0.77 KMT2A (0.40) ALDH1A1SMN1; SMN2LMNAMAPTGAA
SCHEMBL20100736 0.76 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2LMNAMAPTGAA
SCHEMBL20104904 0.76 POLB (0.42) ALDH1A1SMN1; SMN2LMNAMAPTGAA
SCHEMBL20234246 0.76 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2LMNAMAPTGAA
SCHEMBL20113586 0.76 RAB9A (0.35) ALDH1A1SMN1; SMN2LMNAHPGDL3MBTL1
SCHEMBL19033101 0.75 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2LMNAMAPTGAA
SCHEMBL20100738 0.74 SMN1; SMN2 (0.34) ALDH1A1SMN1; SMN2LMNAMAPTGAA
SCHEMBL24938423 0.72 GAA (0.41) ALDH1A1SMN1; SMN2LMNAMAPTGAA
SCHEMBL20975838 0.71 KMT2A (0.47)

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-10280138-B2 Nitric oxide donating derivatives of fluprostenol NICOX S.A. (FR) 2019-05-07 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 ALDH1A1 584/4885SMN1; SMN2 4789/4885LMNA 3760/4885
US-10280138-B2 Nitric oxide donating derivatives of fluprostenol PTGIS, NOS2, PTGIR ALDH1A1 584/4885SMN1; SMN2 4789/4885LMNA 3760/4885

“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.