SCHEMBL29660824

SCHEMBL29660824

CCOC(=O)Cn1nc(C(C)C)c2nc(N(CC)C(C)=O)sc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.39
KDM4E B2RXH2 4/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
CYP2C19 P33261 4/20 0.34
CYP2C9 P11712 3/20 0.34
CYP1A2 P05177 2/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP3A4 P08684 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTGS2 P35354 1/20 0.33
KAT2A Q92830 1/20 0.33
KAT2B Q92831 1/20 0.33

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
SCHEMBL29660885 0.83 KDM4E (0.41) NLRP3KDM4ENPC1RAB9ARXFP1
SCHEMBL29660870 0.82 KDM4E (0.40) NLRP3KDM4ENPC1RAB9ARXFP1
SCHEMBL29660863 0.82 KDM4E (0.42) NLRP3KDM4ENPC1RAB9ARXFP1
SCHEMBL29660925 0.81 KDM4E (0.41) NLRP3KDM4ENPC1RAB9ARXFP1
SCHEMBL29660723 0.78 KDM4E (0.39) NLRP3KDM4ENPC1RAB9ARXFP1
SCHEMBL29660847 0.78 KDM4E (0.39) NLRP3KDM4ENPC1RAB9ARXFP1
SCHEMBL29660822 0.78 KDM4E (0.39) NLRP3KDM4ENPC1RAB9ARXFP1
SCHEMBL29660793 0.75 NLRP3 (0.49) NLRP3KDM4ENPC1RAB9ARXFP1
SCHEMBL25331639 0.72 KDM4E (0.43) NLRP3KDM4ENPC1RAB9ARXFP1
SCHEMBL25331554 0.71 KDM4E (0.41) KDM4ENPC1RAB9ARXFP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240043450-A1 NEW COMPOUND JANSSEN PHARMACEUTICA NV (BE) 2024-02-08 US disclosed
EP-4217347-A1 NEW COMPOUNDS JANSSEN Pharmaceutica NV (BE) 2023-08-02 EP disclosed
WO-2022063896-A1 NEW COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2022-03-31 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-20240043450-A1 NEW COMPOUND NLRP3, NLRP1, PYCARD NLRP3 1/4885KDM4E 3649/4885NPC1 111/4885

“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.