SCHEMBL25746485

SCHEMBL25746485

CC(C)c1nn(CC(=O)N[C@H]2CN(C3CC3)CC[C@H]2O)c(=O)c2ccc(Br)cc12

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 11/20 0.55
PSMB1 P20618 2/20 0.36
PSMB5 P28074 2/20 0.36
ALDH1A1 P00352 3/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CHRNA7 P36544 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
HTT P42858 1/20 0.32
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32

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
SCHEMBL25751207 0.88 NLRP3 (0.53) NLRP3PSMB1PSMB5ALDH1A1RXFP1
SCHEMBL25746482 0.88 NLRP3 (0.53) NLRP3PSMB1PSMB5ALDH1A1RXFP1
SCHEMBL24077223 0.88 NLRP3 (0.53) NLRP3
SCHEMBL30451187 0.85 NLRP3 (0.55) NLRP3PSMB1PSMB5CHRNA7KDM4E
SCHEMBL24077225 0.85 NLRP3 (0.55) NLRP3PSMB1PSMB5CHRNA7KDM4E
SCHEMBL24077283 0.85 NLRP3 (0.55) NLRP3PSMB1PSMB5CHRNA7KDM4E
SCHEMBL26732432 0.85 NLRP3 (0.55) NLRP3PSMB1PSMB5CHRNA7KDM4E
SCHEMBL30168561 0.84 NLRP3 (0.49) NLRP3FPR2
SCHEMBL25746474 0.84 NLRP3 (0.49) NLRP3FPR2
SCHEMBL26732250 0.83 NLRP3 (0.59) NLRP3CHRNA7

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-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 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-20230202989-A1 COMPOUNDS NLRP3, NLRP1, IL1B NLRP3 1/4885PSMB1 1295/4885PSMB5 928/4885

“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.