SCHEMBL4437283

SCHEMBL4437283

NCC(O)CN.O=Cc1cccc(F)c1O

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 13/20 0.71
TLR2 O60603 1/20 0.40
TLR1 Q15399 1/20 0.40
TLR6 Q9Y2C9 1/20 0.40
GBA1 P04062 1/20 0.39
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
MCL1 Q07820 1/20 0.36
ALB P02768 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 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
Ethylenediamine SCHEMBL11775933 0.88 ERN1 (0.85) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL29375374 0.84 ERN1 (1.00) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL294757 0.84 ERN1 (1.00) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL8958081 0.82 ERN1 (0.96) ERN1TLR2TLR1TLR6TRIM24
Ethylene SCHEMBL11602187 0.79 ERN1 (0.88) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL11802500 0.79 ERN1 (0.58) ERN1TLR2TLR1TLR6MCL1
SCHEMBL4325918 0.78 ERN1 (0.56) ERN1TLR2TLR1TLR6MCL1
SCHEMBL11775930 0.76 ERN1 (0.81) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL28048788 0.72 ERN1 (0.69) ERN1TLR2TLR1TLR6CYP1A2
Salicyladehyde SCHEMBL10428031 0.71 TRIM24 (0.58) ERN1TRIM24TRIM33TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090311230-A1 SYNTHETIC CATALYTIC FREE RADICAL SCAVENGERS USEFUL AS ANTIOXIDANTS FOR PREVENTION AND THERAPY OF DISEASE MALFROY-CAMINE BERNARD 2009-12-17 US disclosed
US-7582786-B2 Synthetic catalytic free radical scavengers useful as antioxidants for prevention and therapy of disease EUKARION INC. (US) 2009-09-01 US disclosed
US-20060149089-A1 Synthetic catalytic free radical scavengers useful as antioxidants for prevention and therapy of disease EUKARION, INC. 2006-07-06 US disclosed
US-6573257-B2 Salen-metal complexes having superoxide, catalase and/or peroxidase activity to treat or prevent diseases from cell or tissue damage EUKARION, INC. 2003-06-03 US disclosed
US-20020002157-A1 Synthetic catalytic free radical scavengers useful as antioxidants for prevention and therapy of disease EUKARION, INC. 2002-01-03 US disclosed
US-6046188-A COMPOSITIONS OF SALEN-METAL COMPLEXES FOR ADMINISTRATION TO TREAT OR PREVENT DISEASES ASSOCIATED WITH CELL OR TISSUE DAMAGE PRODUCED BY FREE RADICALS SUCH AS SUPEROXIDE, AND COSMETIC AND FREE RADICAL QUENCHING FORMULATIONS EUKARION, INC. (US) 2000-04-04 US disclosed
US-5834509-A SALEN-MANGANESE COMPLEXES EUKARION, INC. (US) 1998-11-10 US disclosed
US-5696109-A Synthetic catalytic free radical scavengers useful as antioxidants for prevention and therapy of disease EUKARION, INC. (US) 1997-12-09 US disclosed
WO-1996040149-A1 SYNTHETIC CATALYTIC FREE RADICAL SCAVENGERS USEFUL AS ANTIOXIDANTS FOR PREVENTION AND THERAPY OF DISEASE EUKARION, INC. (US) 1996-12-19 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 (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-20020002157-A1 Synthetic catalytic free radical scavengers useful as antioxidants for prevention and therapy of disease CAT, SOD1, SOD3 ERN1 4295/4885TLR2 4145/4885TLR1 3336/4885
US-20090311230-A1 SYNTHETIC CATALYTIC FREE RADICAL SCAVENGERS USEFUL AS ANTIOXIDANTS FOR PREVENTION AND THERAPY OF DISEASE CAT, SOD1, SOD3 ERN1 4295/4885TLR2 4145/4885TLR1 3336/4885
US-20060149089-A1 Synthetic catalytic free radical scavengers useful as antioxidants for prevention and therapy of disease CAT, SOD1, SOD3 ERN1 4295/4885TLR2 4145/4885TLR1 3336/4885

“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.