SCHEMBL21719113

SCHEMBL21719113

CC(C)(C)n1ncc(I)c1C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.32
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
GALR3 O60755 1/20 0.30
NR2F2 P24468 1/20 0.30
GPR183 P32249 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
GPR35 Q9HC97 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
SCHEMBL14706713 0.80 TRPA1 (0.32) TRPA1MEN1NPC1GALR3NR2F2
SCHEMBL21720842 0.78 CYP17A1 (0.33) TRPA1
SCHEMBL21719112 0.78 MGLL (0.32) TRPA1
SCHEMBL21720984 0.78 TRPA1 (0.32) TRPA1
SCHEMBL21720714 0.77
SCHEMBL21721027 0.76 SMN1; SMN2 (0.33) TRPA1MEN1NPC1GALR3NR2F2
SCHEMBL16705383 0.75 CYP11B2 (0.44) TRPA1MEN1KMT2A
SCHEMBL21720785 0.74 MEN1 (0.33) MEN1NPC1GALR3NR2F2GPR183
SCHEMBL21721023 0.73 SMN1; SMN2 (0.34) TRPA1RAB9A
SCHEMBL21718839 0.72 CYP17A1 (0.32)

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 TRPA1 2165/4885MEN1 511/4885NPC1 3861/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK TRPA1 2165/4885MEN1 511/4885NPC1 3861/4885

“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.