SCHEMBL21721071

SCHEMBL21721071

Cc1nn(C(C)(C)C)c(I)c1I

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PARP1 P09874 2/20 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
SCHEMBL21721066 0.82 HPGD (0.33) HPGDSMN1; SMN2
SCHEMBL21720787 0.81 HPGD (0.35) HPGDSMN1; SMN2PARP1
SCHEMBL21720878 0.81 HPGD (0.35) HPGDSMN1; SMN2PARP1
SCHEMBL21720843 0.78
SCHEMBL21720868 0.77 HPGD (0.33) HPGDSMN1; SMN2
SCHEMBL21720780 0.77 HPGD (0.33) HPGDSMN1; SMN2
SCHEMBL21719136 0.77 HPGD (0.33) HPGDSMN1; SMN2
SCHEMBL21719725 0.77 HPGD (0.41) HPGDSMN1; SMN2
SCHEMBL21720932 0.74
SCHEMBL21720859 0.74

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 159/4885SMN1; SMN2 3624/4885PARP1 2539/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK HPGD 159/4885SMN1; SMN2 3624/4885PARP1 2539/4885

“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.