SCHEMBL25902206

SCHEMBL25902206

CCOc1cc(C(=O)OC)cc(Cl)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
LMNA P02545 2/20 0.52
CREBBP Q92793 2/20 0.44
TSHR P16473 2/20 0.44
POLB P06746 2/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
USP2 O75604 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RORC P51449 1/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 2/20 0.41
MCL1 Q07820 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NCOA1 Q15788 1/20 0.40

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
SCHEMBL10682349 0.89 TSHR (0.50) HTTLMNACREBBPTSHRPOLB
SCHEMBL16056303 0.88 LMNA (0.52) HTTLMNATSHRPOLBALOX15
SCHEMBL20762798 0.84 GAA (0.53) LMNAPOLBKDM4ENPC1RAB9A
SCHEMBL3576104 0.82 USP2 (0.49) HTTLMNACREBBPTSHRMAPK1
SCHEMBL25902203 0.82 LMNA (0.49) HTTLMNACREBBPTSHRPOLB
SCHEMBL6686898 0.82 CA12 (0.52) HTTLMNATSHRPOLBKDM4E
SCHEMBL6293600 0.79 LMNA (0.55) HTTLMNAPOLBALOX15KDM4E
Methylamine SCHEMBL5152509 0.79 POLB (0.56) HTTLMNACREBBPPOLBMAPK1
SCHEMBL1613283 0.79 HSD17B2 (0.54) HTTLMNAMAPK1KDM4ENPC1
SCHEMBL16930354 0.78 ALDH1A1 (0.53) HTTLMNACREBBPTSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067648-A1 N-OXIDE INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. 2024-02-29 US disclosed
US-20240067648-A1 N-OXIDE INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. 2024-02-29 US disclosed
US-11787805-B2 N-oxide inhibitors of NLRP3 inflammasome BioAge Labs, Inc. (US) 2023-10-17 US disclosed
US-11787805-B2 N-oxide inhibitors of NLRP3 inflammasome BioAge Labs, Inc. (US) 2023-10-17 US disclosed
WO-2023147468-A1 N-OXIDE INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. (US) 2023-08-03 WO disclosed
US-20230242528-A1 N-OXIDE INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. 2023-08-03 US disclosed
US-20230242528-A1 N-OXIDE INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. 2023-08-03 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 (3 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-20230242528-A1 N-OXIDE INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, NOD1, CASP1 HTT 1393/4885LMNA 407/4885CREBBP 355/4885
US-20240067648-A1 N-OXIDE INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, NOD1, CASP1 HTT 1393/4885LMNA 407/4885CREBBP 355/4885
US-11787805-B2 N-oxide inhibitors of NLRP3 inflammasome NLRP3, NOD1, CASP1 HTT 1393/4885LMNA 407/4885CREBBP 355/4885

“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.