SCHEMBL29695895

SCHEMBL29695895

Cc1nn(C)cc1C(=O)Oc1c(C(=O)c2ccc(C(F)(F)F)cc2S(C)(=O)=O)c(C)nn1C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.36
NR1I2 O75469 1/20 0.35
GAA P10253 1/20 0.35
S1PR1 P21453 1/20 0.34
PTGER4 P35408 2/20 0.33
PTGS2 P35354 1/20 0.33
MCL1 Q07820 1/20 0.32
ABCB1 P08183 2/20 0.32
POLB P06746 2/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.31
SLC34A1 Q06495 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL21169029 1.00 CACNA1B (0.36) CACNA1BNR1I2GAAS1PR1PTGER4
SCHEMBL28548109 0.84 ABCB11 (0.36) CACNA1BNR1I2GAAS1PR1PTGS2
SCHEMBL24886354 0.84 ATM (0.38) CACNA1BNR1I2PTGER4MCL1SLC34A1
SCHEMBL24886358 0.84 CACNA1B (0.34) CACNA1BNR1I2PTGER4MCL1POLB
SCHEMBL21627030 0.83 GAA (0.35) GAAPTGER4POLBPTGDR2SLC34A1
SCHEMBL23236999 0.82 CACNA1B (0.36) CACNA1BNR1I2PTGER4MCL1
SCHEMBL29396817 0.81 CACNA1B (0.37) CACNA1BNR1I2GAAS1PR1MCL1
SCHEMBL119221 0.79 CACNA1B (0.41) CACNA1BNR1I2MCL1
SCHEMBL23236989 0.79 CACNA1B (0.36) CACNA1BNR1I2S1PR1PTGER4ABCB1
SCHEMBL28924742 0.79 MAPT (0.35) GAAABCB1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024038801-A1 AQUEOUS SUSPENSION-TYPE AGROCHEMICAL COMPOSITION 日産化学株式会社 2024-02-22 WO disclosed
US-20230085307-A1 PYRIDAZINONE COMPOUND AND HERBICIDE NISSAN CHEMICAL CORPORATION (JP) 2023-03-16 US disclosed
WO-2022138821-A1 DISPERSIBLE CONCENTRATED AGROCHEMICAL FORMULATION 日産化学株式会社 2022-06-30 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-20230085307-A1 PYRIDAZINONE COMPOUND AND HERBICIDE H1-0, PDXK, H1-4 CACNA1B 2473/4885NR1I2 797/4885GAA 3604/4885

“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.