SCHEMBL29348106

SCHEMBL29348106

CN(C)c1nn(CC(=O)Nc2ccc(=O)n(C)n2)c(=O)c2ccc(C(F)(F)F)cc12

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.47
AKR1B1 P15121 6/20 0.44
MAPT P10636 3/20 0.43
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.38
KMT2A Q03164 2/20 0.38
GPR139 Q6DWJ6 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL29348121 0.86 KMT2A (0.46) AKR1B1MAPTTP53SMN1; SMN2TSHR
SCHEMBL29348116 0.86 NLRP3 (0.46) NLRP3MAPTTP53SMN1; SMN2TSHR
SCHEMBL24076371 0.85 NLRP3 (0.64) NLRP3AKR1B1MAPTTP53SMN1; SMN2
SCHEMBL24076420 0.84 NLRP3 (0.46) NLRP3AKR1B1MAPTTP53SMN1; SMN2
SCHEMBL29348104 0.83 NLRP3 (0.55) NLRP3AKR1B1MAPTTP53SMN1; SMN2
SCHEMBL29348126 0.83 NLRP3 (0.44) NLRP3AKR1B1MAPTTP53SMN1; SMN2
SCHEMBL29348124 0.82 MEN1 (0.43) AKR1B1MAPTTP53SMN1; SMN2TSHR
SCHEMBL27164166 0.81 AKR1B1 (0.47) NLRP3AKR1B1MAPT
SCHEMBL24077060 0.79 NLRP3 (0.56) NLRP3AKR1B1MAPTTP53SMN1; SMN2
SCHEMBL24076431 0.77 NLRP3 (0.59) NLRP3AKR1B1MAPTTP53SMN1; SMN2

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.