SCHEMBL31624955

SCHEMBL31624955

CCOCOc1cc(C(F)(F)F)cc(C)c1-c1cnc(CO)c(Cl)n1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AGBL2 Q5U5Z8 1/20 0.32
▸ NFKB1 P19838 2/20 0.32
▸ ATF1 P18846 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ IL1B P01584 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ JUN P05412 1/20 0.30
▸ NFKB2 Q00653 1/20 0.30
▸ RELA Q04206 1/20 0.30
▸ MEN1 O00255 2/20 0.30
▸ KMT2A Q03164 2/20 0.30

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
SCHEMBL31624742 0.84 NFKB1 (0.37) NFKB1ATF1L3MBTL1GABRB3NPSR1
SCHEMBL31624758 0.84 NFKB1 (0.35) AGBL2NFKB1ATF1L3MBTL1GABRB3
SCHEMBL31624864 0.82 HPGD (0.38) NFKB1ATF1L3MBTL1ALDH1A1HPGD
SCHEMBL30375350 0.79 IL1B (0.35) NFKB1ATF1L3MBTL1NPSR1ALDH1A1
SCHEMBL26093672 0.79 IL1B (0.35) NFKB1ATF1L3MBTL1NPSR1ALDH1A1
SCHEMBL31624863 0.78 ATF1 (0.31) NFKB1ATF1
SCHEMBL31405061 0.75 IL1B (0.45) IL1B
SCHEMBL31624819 0.75 IL1B (0.30) IL1B
SCHEMBL26093443 0.75 ALOX5AP (0.36) L3MBTL1NPSR1IL1B
SCHEMBL31624772 0.74 PPARD (0.31) AGBL2KMT2A

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
WO-2025128777-A1 INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 MERCK SHARP & DOHME LLC (US) 2025-06-19 — — WO disclosed
US-20250195511-A1 INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 MERCK SHARP & DOHME LLC (US) 2025-06-19 — — 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 (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-20250195511-A1 INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 NLRP3, FABP3, NOD1 AGBL2 2145/4885NFKB1 3142/4885ATF1 2081/4885

“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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