SCHEMBL25414850

SCHEMBL25414850

COc1ccnc(-n2cc(B3OC(C)(C)C(C)(C)O3)c(C(F)(F)F)n2)n1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
LCAT P04180 1/20 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
SCHEMBL29437675 1.00 NR1H2 (0.31) NR1H2NR1H3RXRAGRIN1GRIN2B
SCHEMBL25415134 0.80
SCHEMBL30276678 0.77 RXRA (0.35) RXRAGRIN1GRIN2BLCAT
SCHEMBL25256689 0.77 RXRA (0.35) RXRAGRIN1GRIN2BLCAT
SCHEMBL24736263 0.73 LIPE (0.35) NR1H2NR1H3
SCHEMBL30606420 0.73 LIPE (0.35) NR1H2NR1H3
SCHEMBL15730539 0.69 FFAR1 (0.33)
SCHEMBL15723800 0.68 LRRK2 (0.33) NR1H2NR1H3
SCHEMBL21819814 0.68 FFAR1 (0.35) NR1H2NR1H3
SCHEMBL14555332 0.68 FFAR1 (0.33)

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
US-20230295123-A1 NOVEL IMIDAZOLE-PYRAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-09-21 US disclosed
EP-4208454-A1 IMIDAZOLE-PYRAZOLE DERIVATIVES WITH ANTI-BACTERIAL PROPERTIES F. Hoffmann-La Roche AG (CH) 2023-07-12 EP disclosed
CN-115989227-A Imidazole-pyrazole derivatives having antibacterial properties 豪夫迈·罗氏有限公司 2023-04-18 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 (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-20230295123-A1 NOVEL IMIDAZOLE-PYRAZOLE DERIVATIVES CYP3A7, NISCH, ARG1 NR1H2 2994/4885NR1H3 2954/4885RXRA 2931/4885

“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.