SCHEMBL31368008

SCHEMBL31368008

O=c1[nH]c(N2CCCC2)nc2nn(-c3ccc(Br)cc3Cl)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.41
ADORA1 P30542 1/20 0.40
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
GFER P55789 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
KDM4E B2RXH2 3/20 0.34
ADORA3 P0DMS8 1/20 0.34
HSD17B10 Q99714 1/20 0.33
HTR3A P46098 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL31367988 0.85 ADORA1 (0.39) MGLLADORA1RAB9ANPC1HPGD
SCHEMBL31368003 0.84 HCAR1 (0.40) ADORA1HPGDKDM4EHSD17B10MEN1
SCHEMBL31367981 0.81 ADORA1 (0.36) MGLLADORA1RAB9ANPC1HPGD
SCHEMBL31367999 0.76 MEN1 (0.38) MGLLADORA1RAB9ANPC1HPGD
SCHEMBL31368006 0.76 NLRP3 (0.42) MGLLADORA1RAB9ANPC1HPGD
SCHEMBL31368007 0.76 NLRP3 (0.42) MGLLADORA1RAB9ANPC1HPGD
SCHEMBL31367994 0.74 ADORA1 (0.42) ADORA1RAB9ANPC1HPGDSMN1; SMN2
SCHEMBL31367980 0.74 NLRP3 (0.42) MGLLADORA1RAB9ANPC1HPGD
SCHEMBL31367983 0.72 SCD (0.37) MGLLADORA1HPGDKDM4EHSD17B10
SCHEMBL13234312 0.70 TNKS (0.52) ADORA1RAB9ANPC1GFERKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250092051-A1 NLRP3 MODULATORS AND USE THEREOF Bioentropy Inc. (US) 2025-03-20 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 (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-20250092051-A1 NLRP3 MODULATORS AND USE THEREOF NLRP3, NLRP1, NOD1 MGLL 4437/4885ADORA1 100/4885RAB9A 1723/4885

“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.