SCHEMBL21719115

SCHEMBL21719115

Cc1ccnc(C(C)(C)C)c1Br

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.41
▸ CCR1 P32246 1/20 0.37
▸ CCR5 P51681 1/20 0.37
▸ CCR8 P51685 1/20 0.37
▸ NOS3 P29474 3/20 0.35
▸ NOS2 P35228 3/20 0.35

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
SCHEMBL29778842 0.81 CCR1 (0.35) CCR1CCR5CCR8NOS3NOS2
SCHEMBL21597043 0.81 CCR1 (0.35) CCR1CCR5CCR8NOS3NOS2
SCHEMBL10204659 0.77 NOS2 (0.48) CCR1CCR5CCR8NOS3NOS2
SCHEMBL21718452 0.77 HPGD (0.40) HPGD
SCHEMBL9984543 0.77 HPGD (0.40) HPGD
SCHEMBL2872793 0.77 — —
SCHEMBL31555002 0.77 — —
SCHEMBL993753 0.76 CCR1 (0.38) CCR1CCR5CCR8NOS3NOS2
SCHEMBL11955166 0.74 CCR1 (0.37) CCR1CCR5CCR8NOS3NOS2
SCHEMBL21709866 0.74 NOS2 (0.56) CCR1CCR5CCR8NOS3NOS2

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
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 — — US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 — — 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 (2 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-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK HPGD 159/4885CCR1 1898/4885CCR5 3288/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK HPGD 159/4885CCR1 1898/4885CCR5 3288/4885

“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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