SCHEMBL5046250

SCHEMBL5046250

[O-][N+](=CCCOc1ccccc1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.42
EPHX2 P34913 1/20 0.42
KCNA3 P22001 1/20 0.39
CHRNA7 P36544 2/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA10 Q9GZZ6 1/20 0.38
CHRNA9 Q9UGM1 1/20 0.38
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
TLR4 O00206 1/20 0.37
TLR2 O60603 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL5043823 0.85 POLB (0.39) NPC1RAB9ASMN1; SMN2PKMEPHX2
SCHEMBL5671664 0.77 POLB (0.40) NPC1RAB9ASMN1; SMN2EPHX2POLB
SCHEMBL3931078 0.71 KCNA3 (0.47) NPC1RAB9ASMN1; SMN2PKMEPHX2
SCHEMBL5039417 0.71 TSHR (0.40) POLBGAAALDH1A1TSHR
SCHEMBL6155350 0.70 KDM4E (0.48) NPC1RAB9ASMN1; SMN2PKMPOLB
SCHEMBL6154828 0.70 KDM4E (0.48) NPC1RAB9ASMN1; SMN2PKMPOLB
SCHEMBL5044078 0.69 KCNA3 (0.44) NPC1RAB9ASMN1; SMN2PKMKCNA3
SCHEMBL5131445 0.69 KCNA3 (0.44) NPC1RAB9ASMN1; SMN2KCNA3GAA
SCHEMBL6154957 0.68 GAA (0.48) NPC1RAB9ASMN1; SMN2PKMPOLB
SCHEMBL18824965 0.67 GAA (0.70) SMN1; SMN2POLBGAAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1677745-A4 NITRONE COMPOUNDS PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS RENOVIS INC (US) 2008-10-22 EP disclosed
EP-1677745-A2 NITRONE COMPOUNDS PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS Renovis, Inc. (US) 2006-07-12 EP disclosed
US-20050192281-A1 Nitrone compounds, prodrugs and pharmaceuticals compositons of the same to treat human disorders RENOVIS, INC. 2005-09-01 US disclosed
WO-2005037208-A2 NITRONE COMPOUNDS PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS RENOVIS, INC. (US) 2005-04-28 WO 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-20050192281-A1 Nitrone compounds, prodrugs and pharmaceuticals compositons of the same to treat human disorders NLN, NQO1, OPRL1 NPC1 770/4885RAB9A 3142/4885SMN1; SMN2 23/4885

“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.