SCHEMBL22140358

SCHEMBL22140358

CCCC(C)(C)c1cnccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LATS1 O95835 2/20 0.32
LATS2 Q9NRM7 1/20 0.32
CYP19A1 P11511 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCD Q05655 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
PKM P14618 1/20 0.31
RAD52 P43351 1/20 0.31
SLC22A12 Q96S37 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
SCHEMBL19185523 0.80 TDP1 (0.34) TDP1L3MBTL1PRKCHPRKCEPRKCQ
SCHEMBL22623974 0.79 TDP1 (0.38) GAATDP1L3MBTL1LATS1LATS2
SCHEMBL11955155 0.77 GAA (0.41) GAALATS1LATS2CYP19A1PRKCH
SCHEMBL31358487 0.77 GAA (0.41) GAALATS1LATS2CYP19A1PRKCH
SCHEMBL22043381 0.76 PRKCH (0.33) TDP1L3MBTL1LATS1LATS2PRKCH
SCHEMBL22043055 0.76 CYP2E1 (0.36) L3MBTL1CNR1CNR2SLC22A12
SCHEMBL19440742 0.75 LOXL2 (0.39) LATS1LATS2PRKCHPRKCEPRKCQ
SCHEMBL22043393 0.75 HDAC8 (0.32) CNR1CNR2
SCHEMBL19257091 0.74 IMPDH2 (0.47) LATS1LATS2PRKCHPRKCEPRKCQ
SCHEMBL18516974 0.73 HTR2A (0.40) TDP1

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-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
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

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-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP GAA 2035/4885TDP1 1598/4885L3MBTL1 2071/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP GAA 2035/4885TDP1 1598/4885L3MBTL1 2071/4885

“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.