SCHEMBL21721135

SCHEMBL21721135

Cc1nn(C(C)(C)C)c(C)c1N

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
GAA P10253 4/20 0.38
KDM4E B2RXH2 2/20 0.36
GFER P55789 1/20 0.35
SLC2A1 P11166 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PARP1 P09874 2/20 0.31
P2RX7 Q99572 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
SCHEMBL33722 0.81 SMN1; SMN2 (0.52) SMN1; SMN2HPGDGAAPARP1
SCHEMBL21721136 0.79 HPGD (0.34) SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL7113251 0.79 SMN1; SMN2 (0.50) SMN1; SMN2HPGDPARP1
SCHEMBL21721162 0.77 SMN1; SMN2 (0.33) SMN1; SMN2HPGDGAAGFER
SCHEMBL21719725 0.77 HPGD (0.41) SMN1; SMN2HPGD
SCHEMBL21721451 0.77 SMN1; SMN2 (0.41) SMN1; SMN2HPGDGAAKDM4EGFER
SCHEMBL21721129 0.77 SMN1; SMN2 (0.41) SMN1; SMN2HPGDKDM4ESLC2A1
SCHEMBL21721134 0.77 SMN1; SMN2 (0.33) SMN1; SMN2HPGDKDM4E
SCHEMBL13148355 0.75 HPGD (0.37) SMN1; SMN2HPGDPARP1
SCHEMBL21719734 0.74 SMN1; SMN2 (0.39) SMN1; SMN2HPGDGAA

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 SMN1; SMN2 3624/4885HPGD 159/4885GAA 1772/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK SMN1; SMN2 3624/4885HPGD 159/4885GAA 1772/4885

“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.