SCHEMBL24077183

SCHEMBL24077183

CC(C)c1nn(CC(=O)Nc2ccc3nn(C)cc3c2)c(=O)c2ccc(C(F)(F)F)cc12

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 3/20 0.61
▸ MAPT P10636 3/20 0.46
▸ AKR1B1 P15121 5/20 0.46
▸ TP53 P04637 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NOTUM Q6P988 1/20 0.43
▸ GPR139 Q6DWJ6 2/20 0.43
▸ MCHR1 Q99705 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ USP2 O75604 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RECQL P46063 1/20 0.41

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
SCHEMBL24076955 0.93 NLRP3 (0.61) NLRP3MAPTAKR1B1TP53SMN1; SMN2
SCHEMBL24077207 0.87 NLRP3 (0.63) NLRP3MAPTAKR1B1TP53SMN1; SMN2
SCHEMBL24077110 0.84 NLRP3 (0.63) NLRP3MAPTAKR1B1TP53SMN1; SMN2
SCHEMBL24077341 0.84 NLRP3 (0.62) NLRP3MAPTAKR1B1TP53SMN1; SMN2
SCHEMBL24077280 0.84 NLRP3 (0.62) NLRP3MAPTAKR1B1TP53SMN1; SMN2
SCHEMBL24077083 0.83 NLRP3 (0.64) NLRP3MAPTAKR1B1TP53SMN1; SMN2
SCHEMBL24077228 0.82 NLRP3 (0.62) NLRP3MAPTAKR1B1TP53SMN1; SMN2
SCHEMBL24077081 0.82 NLRP3 (0.60) NLRP3MAPTAKR1B1TP53SMN1; SMN2
SCHEMBL24076364 0.81 NLRP3 (0.61) NLRP3MAPTAKR1B1TP53GPR139
SCHEMBL24076964 0.80 NLRP3 (0.68) NLRP3MAPTAKR1B1TP53SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 — — US disclosed
WO-2021239885-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-12-02 — — WO 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-20230202989-A1 COMPOUNDS NLRP3, NLRP1, IL1B NLRP3 1/4885MAPT 1004/4885AKR1B1 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.

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