SCHEMBL29348128

SCHEMBL29348128

CN(C)c1nn(CC(=O)Nc2ccc3nncn3n2)c(=O)c2ccc(Br)cc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 2/20 0.37
HTT P42858 2/20 0.37
FPR1 P21462 3/20 0.37
FPR2 P25090 3/20 0.37
MAPT P10636 2/20 0.36
KMT2A Q03164 1/20 0.35
GAA P10253 2/20 0.34
TP53 P04637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 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
SCHEMBL29348127 0.89 NLRP3 (0.46) NLRP3SMN1; SMN2TSHRHTTMAPT
SCHEMBL29348126 0.87 NLRP3 (0.44) NLRP3SMN1; SMN2TSHRHTTMAPT
SCHEMBL24076985 0.86 NLRP3 (0.60) NLRP3SMN1; SMN2TSHRHTT
SCHEMBL29348115 0.84 NLRP3 (0.51) NLRP3FPR1FPR2KMT2ATP53
SCHEMBL24077171 0.84 NLRP3 (0.47) NLRP3SMN1; SMN2TSHRHTTFPR1
SCHEMBL24077169 0.84 NLRP3 (0.51) NLRP3SMN1; SMN2TSHRHTTFPR1
SCHEMBL29348116 0.82 NLRP3 (0.46) NLRP3SMN1; SMN2TSHRHTTFPR1
SCHEMBL24834599 0.79 NLRP3 (0.42) NLRP3SMN1; SMN2TSHRHTTKMT2A
SCHEMBL24834601 0.79 NLRP3 (0.41) NLRP3SMN1; SMN2TSHRHTTMAPT
SCHEMBL29348078 0.76 ALOX15 (0.46) NLRP3SMN1; SMN2TSHRKMT2AALOX15

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-20240239757-A1 PHTHALAZINONE DERIVATES AS NLRP3 INFLAMMASOME INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-18 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-20240239757-A1 PHTHALAZINONE DERIVATES AS NLRP3 INFLAMMASOME INHIBITORS NLRP3, NLRP1, PYCARD NLRP3 1/4885SMN1; SMN2 4494/4885TSHR 4467/4885

“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.