SCHEMBL21680862

SCHEMBL21680862

CCNC(=O)OCC(F)F

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
EPHX1 P07099 1/20 0.37
ACHE P22303 8/20 0.36
ALOX15 P16050 1/20 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
SCHEMBL20927998 0.83 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL10068346 0.81 SMN1; SMN2 (0.54) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12107388 0.80 SMN1; SMN2 (0.58) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL965401 0.80 SMN1; SMN2 (0.73) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17807372 0.80 SMN1; SMN2 (0.53) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5247558 0.78 SMN1; SMN2 (0.56) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13681838 0.78 SMN1; SMN2 (0.56) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL86991 0.77 EPHX1 (0.59) EPHX1ACHE
SCHEMBL21680765 0.77
SCHEMBL12037858 0.77 SMN1; SMN2 (0.50) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4021886-A1 SUBSTITUTED UREA DIHYDROOROTATE DEHYDROGENASE INHIBITORS Janssen Biotech, Inc. (US) 2022-07-06 EP disclosed
US-11147272-B2 Pyridone compounds and agricultural and horticultural fungicides comprising the same as active ingredients MITSUI CHEMICALS ARGRO, INC. (JP) 2021-10-19 US disclosed
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-05-11 US disclosed
WO-2021038490-A1 SUBSTITUTED UREA DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. (US) 2021-03-04 WO disclosed
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-25 US disclosed
EP-3611164-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed
EP-3611166-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed
US-20200045963-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES COMPRISING 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 (4 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-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP SMN1; SMN2 3515/4885CHRNB2 3214/4885CHRNB4 3313/4885
US-20200045963-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES COMPRISING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP SMN1; SMN2 2936/4885CHRNB2 3126/4885CHRNB4 3098/4885
US-11147272-B2 Pyridone compounds and agricultural and horticultural fungicides comprising the same as active ingredients PNPO, PDXK, PLPBP SMN1; SMN2 2936/4885CHRNB2 3126/4885CHRNB4 3098/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP SMN1; SMN2 3515/4885CHRNB2 3214/4885CHRNB4 3313/4885

“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.