SCHEMBL26093229

SCHEMBL26093229

CC1(O)CC(Nc2nnc(-c3ncc(C(F)(F)F)cc3O)c3ccccc23)C1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 5/20 0.55
IL1B P01584 11/20 0.51
TNF P01375 3/20 0.51
CHEK1 O14757 1/20 0.36
CHEK2 O96017 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
KCNH2 Q12809 2/20 0.35
HSD17B10 Q99714 1/20 0.34
PIM1 P11309 1/20 0.34

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
SCHEMBL26441653 1.00 NLRP3 (0.55) NLRP3IL1BTNFCHEK1CHEK2
SCHEMBL26438470 1.00 NLRP3 (0.55) NLRP3IL1BTNFCHEK1CHEK2
SCHEMBL26436327 0.89 NLRP3 (0.52) NLRP3IL1BTNFKCNH2
SCHEMBL26436539 0.89 NLRP3 (0.52) NLRP3IL1BTNFCHEK1CHEK2
SCHEMBL26437758 0.89 NLRP3 (0.52) NLRP3IL1BTNFCHEK1CHEK2
SCHEMBL26437769 0.89 NLRP3 (0.52) NLRP3IL1BTNFCHEK1CHEK2
SCHEMBL26437107 0.89 NLRP3 (0.52) NLRP3IL1BTNFCHEK1CHEK2
SCHEMBL30374880 0.86 NLRP3 (0.53) NLRP3IL1BTNFKCNH2
SCHEMBL26133230 0.86 NLRP3 (0.53) NLRP3IL1BTNFKCNH2
SCHEMBL26438705 0.86 NLRP3 (0.53) NLRP3IL1BTNFKCNH2

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-20250002470-A1 NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ZHEJIANG AIXPLORER BIOTECH CO., LTD. (CN) 2025-01-02 US disclosed
CN-116102535-A Nitrogen-containing compound, preparation method and application thereof 索智生物科技(浙江)有限公司 2023-05-12 CN disclosed
WO-2023066377-A1 NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 索智生物科技(浙江)有限公司 2023-04-27 WO disclosed
WO-2023066377-A1 NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 索智生物科技(浙江)有限公司 2023-04-27 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-20250002470-A1 NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF NOD1, NLRP3, NLRP1 NLRP3 2/4885IL1B 9/4885TNF 186/4885

“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.