SCHEMBL5043823

SCHEMBL5043823

[O-][N+](=CCOc1ccccc1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
EPHX2 P34913 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AOC3 Q16853 1/20 0.38
TLR4 O00206 1/20 0.36
TLR2 O60603 1/20 0.36
LTA4H P09960 3/20 0.35
VCP P55072 1/20 0.35
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35

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
SCHEMBL5046250 0.85 NPC1 (0.42) POLBGAANPC1PKMEPHX2
SCHEMBL5035737 0.85 KDM4E (0.42) NPC1EPHX2RAB9A
SCHEMBL5039417 0.79 TSHR (0.40) POLBGAA
SCHEMBL5671664 0.73 POLB (0.40) POLBGAANPC1EPHX2RAB9A
SCHEMBL6155350 0.72 KDM4E (0.48) POLBGAANPC1PKMRAB9A
SCHEMBL6154828 0.72 KDM4E (0.48) POLBGAANPC1PKMRAB9A
SCHEMBL705520 0.71 AOC3 (0.43) NPC1PKMEPHX2RAB9ASMN1; SMN2
SCHEMBL6154957 0.70 GAA (0.48) POLBGAANPC1PKMRAB9A
SCHEMBL18824963 0.69 GAA (0.70) POLBGAASMN1; SMN2
SCHEMBL18824965 0.69 GAA (0.70) POLBGAASMN1; SMN2

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 POLB 1120/4885GAA 632/4885NPC1 770/4885

“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.