SCHEMBL22061563

SCHEMBL22061563

c1ccc(Oc2cc(Oc3ccccn3)cc(Oc3ccccn3)c2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
TLR4 O00206 1/20 0.47
TLR2 O60603 1/20 0.47
PTGS2 P35354 2/20 0.47
LTA4H P09960 1/20 0.47
CYP1A2 P05177 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
CCR1 P32246 1/20 0.46
CCR5 P51681 1/20 0.46
CCR8 P51685 1/20 0.46
METAP1 P53582 1/20 0.46
BLM P54132 1/20 0.46
HIF1A Q16665 1/20 0.46
DOHH Q9BU89 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
FFAR4 Q5NUL3 3/20 0.46
GRM5 P41594 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
LOXL2 Q9Y4K0 2/20 0.43

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
SCHEMBL12129555 0.91 TLR4 (0.56) KDM4ETLR4TLR2PTGS2LTA4H
SCHEMBL29612417 0.91 TLR4 (0.56) KDM4ETLR4TLR2PTGS2LTA4H
SCHEMBL15602369 0.89 TLR4 (0.55) KDM4ETLR4TLR2PTGS2LTA4H
SCHEMBL11143982 0.88 PTGS2 (0.57) KDM4ETLR4TLR2PTGS2LTA4H
SCHEMBL29610302 0.86 LOXL2 (0.52) KDM4ETLR4TLR2PTGS2LTA4H
SCHEMBL147539 0.86 LOXL2 (0.52) KDM4ETLR4TLR2PTGS2LTA4H
SCHEMBL5346384 0.86 DHODH (0.44) KDM4ETLR4TLR2PTGS2LTA4H
SCHEMBL30689318 0.86 FFAR4 (0.56) KDM4ETLR4TLR2PTGS2LTA4H
SCHEMBL409030 0.85 KDM4E (0.55) KDM4ETLR4TLR2PTGS2LTA4H
SCHEMBL8510667 0.84 LTA4H (0.50) KDM4ETLR4TLR2PTGS2LTA4H

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
US-20210309610-A1 NLRX1 LIGANDS LANDOS BIOPHARMA, INC. (US) 2021-10-07 US disclosed
US-11066364-B2 NLRX1 ligands LANDOS BIOPHARMA, INC. (US) 2021-07-20 US disclosed
US-20200255378-A1 NLRX1 LIGANDS LANDOS BIOPHARMA, INC. (US) 2020-08-13 US disclosed
US-10676436-B2 NLRX1 ligands LANDOS BIOPHARMA, INC. (US) 2020-06-09 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 (4 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-20210309610-A1 NLRX1 LIGANDS NLRP1, NLRP3, NOD1 KDM4E 3352/4885TLR4 5/4885TLR2 22/4885
US-20200255378-A1 NLRX1 LIGANDS NLRP1, NLRP3, NOD1 KDM4E 3352/4885TLR4 5/4885TLR2 22/4885
US-11066364-B2 NLRX1 ligands NLRP1, NLRP3, NOD1 KDM4E 3352/4885TLR4 5/4885TLR2 22/4885
US-10676436-B2 NLRX1 ligands NLRP1, NLRP3, NOD1 KDM4E 3352/4885TLR4 5/4885TLR2 22/4885

“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.