SCHEMBL29348125

SCHEMBL29348125

CN(C)c1nn(CC(=O)Nc2ccc3nncn3c2)c(=O)c2cc(Cl)ccc12

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 13/20 0.53
AKR1B1 P15121 2/20 0.43
MLLT1 Q03111 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL29348120 0.96 NLRP3 (0.53) NLRP3AKR1B1MEN1KMT2ATP53
SCHEMBL29348115 0.86 NLRP3 (0.51) NLRP3KMT2ATP53
SCHEMBL29348102 0.84 NLRP3 (0.49) NLRP3AKR1B1TP53
SCHEMBL24077116 0.84 NLRP3 (0.66) NLRP3AKR1B1MEN1KMT2A
SCHEMBL24077037 0.82 NLRP3 (0.55) NLRP3AKR1B1MLLT1MEN1KMT2A
SCHEMBL29348127 0.80 NLRP3 (0.46) NLRP3AKR1B1MEN1KMT2ATP53
SCHEMBL24834573 0.79 NLRP3 (0.52) NLRP3AKR1B1KMT2A
SCHEMBL24834575 0.79 NLRP3 (0.51) NLRP3AKR1B1KMT2ATP53
SCHEMBL24077052 0.77 NLRP3 (0.62) NLRP3KMT2ATP53
SCHEMBL29348084 0.76 KMO (0.46) AKR1B1MEN1KMT2A

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 1/4885AKR1B1 320/4885MLLT1 451/4885

“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.