SCHEMBL19475365

SCHEMBL19475365

COc1ccc(Cn2c(CCCOCc3ccccc3)nc3c[n+]([O-])c4cc(Br)ccc4c32)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 6/20 0.42
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.36
TLR8 Q9NR97 1/20 0.36
MAPK8 P45983 1/20 0.36
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
ENPP2 Q13822 1/20 0.34

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
SCHEMBL19503121 0.90 TLR7 (0.44) TLR7KMT2AMAPTMEN1TLR8
SCHEMBL21566196 0.85 TLR7 (0.40) TLR7TDP1L3MBTL1KMT2AMAPT
SCHEMBL19475350 0.84 TLR7 (0.46) TLR7TDP1L3MBTL1KMT2AMAPT
SCHEMBL28478082 0.80 TLR7 (0.37) TLR7TDP1L3MBTL1KMT2AMAPT
SCHEMBL30598791 0.80 TLR7 (0.37) TLR7TDP1L3MBTL1KMT2AMAPT
SCHEMBL19475179 0.79 TLR7 (0.64) TLR7TLR8
SCHEMBL26981077 0.78 TLR7 (0.59) TLR7TLR8RXFP1
SCHEMBL22445197 0.76 AGTR1 (0.42) TLR7KMT2AMAPTMEN1TLR8
SCHEMBL22017902 0.76 PIK3CD (0.47) TLR7TDP1L3MBTL1KMT2AMAPT
SCHEMBL20475984 0.75 KCNH2 (0.42) KMT2AMAPTMEN1MAPK8TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11072612-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC. (US) 2021-07-27 US disclosed
US-20200157097-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2020-05-21 US disclosed
US-10556903-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC. (US) 2020-02-11 US disclosed
US-20190127367-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2019-05-02 US disclosed
WO-2017184746-A1 NLRP3 MODULATORS IFM THERAPEUTICS, INC (US) 2017-10-26 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 (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-11072612-B2 NLRP3 modulators NLRP3, NLRP1, NOD1 TLR7 161/4885TDP1 302/4885L3MBTL1 845/4885
US-20200157097-A1 NLRP3 MODULATORS NLRP3, NLRP1, NOD1 TLR7 161/4885TDP1 302/4885L3MBTL1 845/4885
US-10556903-B2 NLRP3 modulators NLRP3, NLRP1, NOD1 TLR7 161/4885TDP1 302/4885L3MBTL1 845/4885
US-20190127367-A1 NLRP3 MODULATORS NLRP3, NLRP1, NOD1 TLR7 207/4885TDP1 589/4885L3MBTL1 1679/4885

“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.