SCHEMBL20104904

SCHEMBL20104904

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
CYP2C19 P33261 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 4/20 0.39
HPGD P15428 2/20 0.38
KMT2A Q03164 4/20 0.38
NPC1 O15118 2/20 0.38
CYP3A4 P08684 2/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 3/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 4/20 0.35
ALDH1A1 P00352 2/20 0.35
GLA P06280 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
PKM P14618 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL20104858 0.85 PKM (0.41) POLBCYP2C19SMN1; SMN2HPGDKMT2A
SCHEMBL13328238 0.81 SMN1; SMN2 (0.46) CYP2C19SMN1; SMN2HTTHPGDKMT2A
SCHEMBL20975838 0.81 KMT2A (0.47) KMT2AMEN1
SCHEMBL20113586 0.80 RAB9A (0.35) CYP2C19SMN1; SMN2HPGDKMT2ANPC1
SCHEMBL18319068 0.78 SMN1; SMN2 (0.42) SMN1; SMN2HTTHPGDKMT2AGAA
SCHEMBL20104903 0.78 HPGD (0.49) POLBCYP2C19SMN1; SMN2HTTHPGD
SCHEMBL20100742 0.78 SMN1; SMN2 (0.43) CYP2C19SMN1; SMN2HTTHPGDKMT2A
SCHEMBL20104859 0.76 ALDH1A1 (0.42) POLBSMN1; SMN2HPGDGAAMAPT
SCHEMBL20109405 0.75 HPGD (0.40) POLBCYP2C19SMN1; SMN2HTTHPGD
SCHEMBL23471188 0.74 SMN1; SMN2 (0.46) CYP2C19SMN1; SMN2HTTHPGDKMT2A

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-20180118677-A1 NITRIC OXIDE DONATING DERIVATIVES OF FLUPROSTENOL NICOX S.A. (FR) 2018-05-03 US disclosed
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 (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 POLB 1692/4885CYP2C19 41/4885SMN1; SMN2 4789/4885
US-20180118676-A1 NITRIC OXIDE DONATING DERIVATIVES OF LATANOPROST FREE ACID PTGIS, NOS2, NOS1 POLB 3175/4885CYP2C19 57/4885SMN1; SMN2 4557/4885

“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.