SCHEMBL21720510

SCHEMBL21720510

COc1nn(C(C)(C)C)c(Cl)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PAX8 Q06710 1/20 0.34
NPBWR1 P48145 1/20 0.30
MCHR1 Q99705 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
SCHEMBL21720757 0.83
SCHEMBL21720673 0.82 NPC1 (0.33) NPC1RAB9APAX8
SCHEMBL21720835 0.82
SCHEMBL21718918 0.82 NPC1 (0.33) NPC1RAB9APAX8NPBWR1MCHR1
SCHEMBL21718905 0.82
SCHEMBL21721453 0.80 RIPK2 (0.32)
SCHEMBL21720751 0.80
SCHEMBL21720530 0.80 NPC1 (0.33) NPC1RAB9APAX8
SCHEMBL21718900 0.80 NPC1 (0.33) NPC1RAB9APAX8
SCHEMBL21721012 0.77 NPC1 (0.31) NPC1RAB9APAX8

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 NPC1 3861/4885RAB9A 3141/4885PAX8 2747/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK NPC1 3861/4885RAB9A 3141/4885PAX8 2747/4885

“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.