SCHEMBL28934693

SCHEMBL28934693

COc1cc(C)ccc1-c1nnc(O)c2cc(F)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX12 P18054 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NTSR1 P30989 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CTSA P10619 1/20 0.37
SCN9A Q15858 7/20 0.37
MAPT P10636 2/20 0.36
TLR9 Q9NR96 1/20 0.36
ACHE P22303 1/20 0.36
DHODH Q02127 3/20 0.35
CRHR1 P34998 1/20 0.35
KIF11 P52732 1/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
GUSB P08236 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
SCHEMBL25258989 0.86 AMY1A (0.39) KDM4EALDH1A1ALOX12KMT2AMEN1
SCHEMBL28934716 0.86 ACHE (0.37) ALDH1A1KMT2AMEN1SCN9AMAPT
SCHEMBL28934449 0.85 KDM4E (0.40) KDM4EALDH1A1ALOX12KMT2AMEN1
SCHEMBL28963081 0.84 SCN9A (0.40) SCN9ACRHR1KIF11
SCHEMBL30108817 0.82 STAT3 (0.35) ALDH1A1KMT2AMEN1MAPTACHE
SCHEMBL26134941 0.80 MAOA (0.37) KDM4ESCN9AACHECRHR1
SCHEMBL30108822 0.79 AR (0.43) SCN9AGUSB
SCHEMBL30108652 0.79 NLRP3 (0.40) KDM4EALDH1A1ALOX12KMT2AMEN1
SCHEMBL30108637 0.77 MAOA (0.37) KDM4ESCN9AACHECRHR1GUSB
SCHEMBL28934436 0.74 ACHE (0.41) KDM4EALDH1A1ALOX12KMT2AMEN1

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 KDM4E 3867/4885ALDH1A1 2544/4885ALOX12 714/4885

“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.