SCHEMBL29348118

SCHEMBL29348118

COCCN(C)c1nn(CC(=O)Nc2ccc3nncn3c2)c(=O)c2ccc(C(F)(F)F)cc12

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 15/20 0.45
AKR1B1 P15121 4/20 0.43
MAPT P10636 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
SCHEMBL29348117 0.92 NLRP3 (0.46) NLRP3AKR1B1MAPT
SCHEMBL29348102 0.89 NLRP3 (0.49) NLRP3AKR1B1MAPT
SCHEMBL24077187 0.83 NLRP3 (0.53) NLRP3AKR1B1MAPT
SCHEMBL24076871 0.83 NLRP3 (0.55) NLRP3AKR1B1MAPT
SCHEMBL24077256 0.82 NLRP3 (0.62) NLRP3AKR1B1
SCHEMBL24077348 0.82 NLRP3 (0.57) NLRP3AKR1B1MAPT
SCHEMBL24077189 0.81 NLRP3 (0.50) NLRP3AKR1B1MAPT
SCHEMBL24077172 0.81 AKR1B1 (0.53) NLRP3AKR1B1MAPT
SCHEMBL24076374 0.81 NLRP3 (0.54) NLRP3AKR1B1
SCHEMBL24076329 0.81 NLRP3 (0.51) NLRP3AKR1B1MAPT

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 320/4885MAPT 162/4885

“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.