SCHEMBL29276145

SCHEMBL29276145

COc1ccc(-c2nnc(N[C@@H]3CCCN(C)C3)c3ccccc23)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 5/20 0.56
KAT2B Q92831 2/20 0.48
IL1B P01584 4/20 0.46
EHMT1 Q9H9B1 2/20 0.42
EHMT2 Q96KQ7 2/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNA4 P43681 2/20 0.41
DRD4 P21917 1/20 0.41
SLC6A2 P23975 1/20 0.41
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL29276148 1.00 NLRP3 (0.56) NLRP3KAT2BIL1BEHMT1EHMT2
SCHEMBL30108791 0.90 NLRP3 (0.64) NLRP3KAT2BIL1BCHRNB2CHRNB4
SCHEMBL28934550 0.90 NLRP3 (0.64) NLRP3KAT2BIL1BCHRNB2CHRNB4
SCHEMBL30108845 0.90 NLRP3 (0.64) NLRP3KAT2BIL1BCHRNB2CHRNB4
SCHEMBL28934544 0.90 NLRP3 (0.64) NLRP3KAT2BIL1BCHRNB2CHRNB4
SCHEMBL28934599 0.90 NLRP3 (0.55) NLRP3KAT2BIL1BEHMT1EHMT2
SCHEMBL28934597 0.90 NLRP3 (0.55) NLRP3KAT2BIL1BEHMT1EHMT2
SCHEMBL28963072 0.90 NLRP3 (0.55) NLRP3KAT2BIL1BEHMT1EHMT2
SCHEMBL28963074 0.90 NLRP3 (0.55) NLRP3KAT2BIL1BEHMT1EHMT2
SCHEMBL26117994 0.90 NLRP3 (0.55) NLRP3KAT2BIL1BEHMT1CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240262806-A1 INHIBITORS OF NLRP3 PCT THERAPEUTICS, INC. (US) 2024-08-08 US disclosed
CN-118302417-A NLRP3 inhibitors PTC医疗公司 2024-07-05 CN disclosed
EP-4392414-A1 INHIBITORS OF NLRP3 PTC Therapeutics, Inc. (US) 2024-07-03 EP disclosed
WO-2023028534-A1 INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2023-03-02 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-20240262806-A1 INHIBITORS OF NLRP3 NLRP3, NOD1, NLRP1 NLRP3 1/4885KAT2B 4295/4885IL1B 10/4885

“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.