SCHEMBL20104858

SCHEMBL20104858

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 5/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 3/20 0.39
ALDH1A1 P00352 4/20 0.38
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALOX12 P18054 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL20104904 0.85 POLB (0.42) PKMSMN1; SMN2HPGDGAALMNA
SCHEMBL20113586 0.82 RAB9A (0.35) PKMSMN1; SMN2HPGDLMNAALDH1A1
SCHEMBL25875336 0.78 LMNA (0.44) SMN1; SMN2HPGDGAALMNAALDH1A1
SCHEMBL20104859 0.78 ALDH1A1 (0.42) PKMSMN1; SMN2HPGDGAALMNA
SCHEMBL20975838 0.77 KMT2A (0.47) KMT2A
SCHEMBL20104862 0.77 HPGD (0.46) PKMSMN1; SMN2HPGDGAACYP2D6
SCHEMBL26445199 0.77 SMN1; SMN2 (0.43) SMN1; SMN2HPGDGAALMNAALDH1A1
SCHEMBL26445198 0.77 SMN1; SMN2 (0.43) SMN1; SMN2HPGDGAALMNAALDH1A1
SCHEMBL26147450 0.77 LMNA (0.43) SMN1; SMN2HPGDGAALMNAALDH1A1
SCHEMBL25516107 0.77 LMNA (0.43) SMN1; SMN2HPGDGAALMNAALDH1A1

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-10280138-B2 Nitric oxide donating derivatives of fluprostenol NICOX S.A. (FR) 2019-05-07 US disclosed
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 (3 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 PKM 2493/4885SMN1; SMN2 4789/4885HPGD 7/4885
US-10280138-B2 Nitric oxide donating derivatives of fluprostenol PTGIS, NOS2, PTGIR PKM 2493/4885SMN1; SMN2 4789/4885HPGD 7/4885
US-20180118676-A1 NITRIC OXIDE DONATING DERIVATIVES OF LATANOPROST FREE ACID PTGIS, NOS2, NOS1 PKM 2745/4885SMN1; SMN2 4557/4885HPGD 10/4885

“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.