SCHEMBL429599

SCHEMBL429599

Cc1cc(O)cc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
RAPGEF4 Q8WZA2 2/20 0.42
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
PGK1 P00558 1/20 0.42
PGK2 P07205 1/20 0.42
HCAR1 Q9BXC0 1/20 0.40
PTGS1 P23219 3/20 0.39
MAPT P10636 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
KIF11 P52732 1/20 0.38
CES2 O00748 1/20 0.38
NOTUM Q6P988 1/20 0.38
AKT1 P31749 1/20 0.37
P2RX1 P51575 1/20 0.37
TMPRSS4 Q9NRS4 1/20 0.37
IDH1 O75874 1/20 0.37
ACHE P22303 1/20 0.36

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
SCHEMBL29623424 1.00 ALDH1A1 (0.55) ALDH1A1RAPGEF4GABRA1GABRB2PGK1
SCHEMBL19454979 0.84 IDO1 (0.40) ALDH1A1RAPGEF4GABRA1GABRB2PGK1
SCHEMBL30994196 0.84 ALDH1A1 (0.52) ALDH1A1GABRA1GABRB2PGK1PGK2
SCHEMBL29319679 0.83 ALDH1A1 (0.46) ALDH1A1RAPGEF4GABRA1GABRB2PGK1
SCHEMBL29319740 0.83 NOTUM (0.44) ALDH1A1RAPGEF4PGK1PGK2PTGS1
SCHEMBL19449771 0.82 ALDH1A1 (0.41) ALDH1A1RAPGEF4GABRA1GABRB2PGK1
SCHEMBL186842 0.82 GABRA1 (0.52) GABRA1GABRB2PTGS1MAPTKIF11
SCHEMBL107119 0.82 RAPGEF4 (0.56) RAPGEF4PGK1PGK2MAPTTAS2R14
SCHEMBL69029 0.82 PTGS1 (0.52) ALDH1A1GABRA1GABRB2PTGS1KIF11
SCHEMBL130017 0.82 RAPGEF4 (0.50) ALDH1A1RAPGEF4PGK1PGK2MAPT

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 188 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4642784-A1 HETEROCYCLIC AND HETEROARYL COMPOUNDS AS INHIBITORS OF NLRP3 PTC Therapeutics, Inc. (US) 2025-11-05 EP claimed
EP-4637746-A1 6,6 BICYCLIC HETEROCYLES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 Merck Sharp & Dohme LLC (US) 2025-10-29 EP claimed
US-20250276958-A1 COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-09-04 US claimed
US-20250223290-A1 AZAINDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 MERCK SHARP & DOHME LLC (US) 2025-07-10 US claimed
US-20250195511-A1 INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 MERCK SHARP & DOHME LLC (US) 2025-06-19 US claimed
WO-2025128781-A1 AZAINDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 MERCK SHARP & DOHME LLC (US) 2025-06-19 WO claimed
WO-2025128777-A1 INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 MERCK SHARP & DOHME LLC (US) 2025-06-19 WO claimed
US-20240279237-A1 FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2024-08-22 US claimed
WO-2024145623-A1 HETEROCYCLIC AND HETEROARYL COMPOUNDS AS INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2024-07-04 WO claimed
WO-2024137319-A1 6,6 BICYCLIC HETEROCYLES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 MERCK SHARP & DOHME LLC (US) 2024-06-27 WO claimed
US-20240132471-A1 NOVEL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-04-25 US claimed
EP-4347571-A1 TRIAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2024-04-10 EP claimed
WO-2022253936-A1 TRIAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER. F. HOFFMANN-LA ROCHE AG (CH) 2022-12-08 WO claimed
EP-3969441-A1 NLRP3 INFLAMMASOME INHIBITORS Novartis AG (CH) 2022-03-23 EP claimed
US-10029992-B2 Diaminotriazine compounds and their use as herbicides BASF SE (DE) 2018-07-24 US claimed
EP-3134391-A1 DIAMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2017-03-01 EP claimed
US-20170044114-A1 Diaminotriazine compounds and their use as herbicides BASF SE (DE) 2017-02-16 US claimed
WO-2015162166-A1 DIAMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2015-10-29 WO claimed
EP-4347571-B1 TRIAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER. HOFFMANN LA ROCHE (CH) 2026-04-22 EP disclosed
CN-85107805-A Manufacture method as N-alkenyl-3-hydroxy benzo [b] the thiophene-2-carboxamide derivatives derivative of dual-purpose cyclooxygenase and lipoxidase inhibitor 1986-12-31 CN 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 (7 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 ALDH1A1 3907/4885RAPGEF4 4123/4885GABRA1 3501/4885
US-20250276958-A1 COMPOUNDS C5, RB1, RPS4X ALDH1A1 1504/4885RAPGEF4 2891/4885GABRA1 2983/4885
US-10029992-B2 Diaminotriazine compounds and their use as herbicides NR4A3, CBR3, RCOR3 ALDH1A1 941/4885RAPGEF4 2744/4885GABRA1 2384/4885
US-20240132471-A1 NOVEL COMPOUNDS RB1, RPS4Y1, CDK11B ALDH1A1 1643/4885RAPGEF4 2234/4885GABRA1 2886/4885
US-20250223290-A1 AZAINDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 NLRP3, FABP3, WDR36 ALDH1A1 4227/4885RAPGEF4 3163/4885GABRA1 2859/4885
US-20170044114-A1 Diaminotriazine compounds and their use as herbicides NR4A3, CBR3, RCOR3 ALDH1A1 935/4885RAPGEF4 2790/4885GABRA1 2391/4885
US-20240279237-A1 FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS NLRP3, NOD1, NLRP1 ALDH1A1 2364/4885RAPGEF4 2306/4885GABRA1 2385/4885

“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.