SCHEMBL30108714

SCHEMBL30108714

N#Cc1ccc(-c2nnc(N[C@H]3C[C@@H](O)C3)c3ccccc23)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 8/20 0.49
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE5A O76074 2/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
IRAK4 Q9NWZ3 5/20 0.34
EGFR P00533 1/20 0.33
KCNH2 Q12809 1/20 0.33
SMO Q99835 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
SCHEMBL28934585 1.00 NLRP3 (0.49) NLRP3KDM4EHSD17B10PDE5AALDH1A1
SCHEMBL28934592 1.00 NLRP3 (0.49) NLRP3KDM4EHSD17B10PDE5AALDH1A1
SCHEMBL30108709 0.88 NLRP3 (0.46) NLRP3PDE5AALDH1A1IRAK4KCNH2
SCHEMBL30108664 0.84 NLRP3 (0.70) NLRP3KDM4EHSD17B10ALDH1A1LMNA
SCHEMBL28934508 0.84 NLRP3 (0.70) NLRP3KDM4EHSD17B10ALDH1A1LMNA
SCHEMBL26435079 0.83 NLRP3 (0.50) NLRP3KDM4EHSD17B10ALDH1A1LMNA
SCHEMBL26435304 0.83 IL1B (0.42) NLRP3KDM4EHSD17B10PDE5AALDH1A1
SCHEMBL30108854 0.83 NLRP3 (0.44) NLRP3IRAK4
SCHEMBL28934427 0.81 NLRP3 (0.47) NLRP3KDM4EHSD17B10PDE5AALDH1A1
SCHEMBL28934430 0.81 NLRP3 (0.47) NLRP3KDM4EHSD17B10PDE5AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240294542-A1 NLRP3 INFLAMMASOME INHIBITOR AND APPLICATION THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2024-09-05 US disclosed
CN-115433163-A NLRP3 inflammasome inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2022-12-06 CN 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-20240294542-A1 NLRP3 INFLAMMASOME INHIBITOR AND APPLICATION THEREOF NLRP3, NLRP1, PYCARD NLRP3 1/4885KDM4E 3867/4885HSD17B10 1551/4885

“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.