SCHEMBL29492185

SCHEMBL29492185

CC(C)n1nc(CC(=O)O)c(=O)c2ccc(Br)cc21

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 2/20 0.64
▸ POLB P06746 1/20 0.51
▸ AKR1B1 P15121 13/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ TYRO3 Q06418 1/20 0.39
▸ EGLN1 Q9GZT9 2/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL25356354 0.87 NLRP3 (0.64) NLRP3POLBPDGFRACDK5TYRO3
SCHEMBL25431544 0.85 NLRP3 (0.59) NLRP3POLBMEN1KMT2ATYRO3
SCHEMBL25356861 0.84 NLRP3 (0.57) NLRP3POLBPDGFRACDK5TYRO3
SCHEMBL29492084 0.82 POLB (0.48) NLRP3POLBAKR1B1PTGDR2
SCHEMBL29494684 0.81 MAPT (0.50) NLRP3AKR1B1MEN1CYP1A2CYP2C9
SCHEMBL29492036 0.79 NLRP3 (1.00) NLRP3
SCHEMBL29494685 0.79 NLRP3 (0.52) NLRP3POLBPDGFRACDK5TYRO3
SCHEMBL25356370 0.78 NLRP3 (0.53) NLRP3PDGFRACDK5TYRO3EGLN1
SCHEMBL498685 0.76 NLRP3 (0.46) NLRP3PDGFRACDK5TYRO3EGLN1
SCHEMBL25360566 0.76 NLRP3 (0.48) NLRP3MEN1KMT2APDGFRACDK5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4217346-B1 NEW COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2025-07-02 — — EP disclosed
US-20230391756-A1 NEW COMPOUND JANSSEN PHARMACEUTICA NV (BE) 2023-12-07 — — US disclosed
EP-4217346-A1 NEW COMPOUNDS JANSSEN Pharmaceutica NV (BE) 2023-08-02 — — EP disclosed
WO-2022063876-A1 NEW COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2022-03-31 — — WO disclosed
EP-3974415-A1 NLRP3 MODULATORS Janssen Pharmaceutica NV (BE) 2022-03-30 — — EP 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-20230391756-A1 NEW COMPOUND NLRP3, NLRP1, IL1R1 NLRP3 1/4885POLB 2610/4885AKR1B1 480/4885

“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.

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