SCHEMBL22140267

SCHEMBL22140267

CCC(C)(C)c1ccc(C(F)(F)F)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.38
CES2 O00748 2/20 0.37
KIF11 P52732 1/20 0.35
NOTUM Q6P988 1/20 0.35
AR P10275 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
ATM Q13315 2/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GABRB3 P28472 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL20125681 0.86 MAPT (0.38) PDE2ACES2KIF11ARMAPK1
SCHEMBL12806558 0.83 RAB9A (0.45) ARMAPK1LMNAATMNPC1
SCHEMBL22140215 0.81 PDE2A (0.51) PDE2ACES2KIF11ARCYP3A4
SCHEMBL23661917 0.81 CES2 (0.43) PDE2ACES2KIF11ARCYP3A4
SCHEMBL12732888 0.81 KIF11 (0.43) PDE2ACES2KIF11NOTUMCYP3A4
SCHEMBL21534433 0.80 KIF11 (0.40) PDE2ACES2KIF11ARCYP3A4
SCHEMBL24836121 0.80 PDE2A (0.47) PDE2ACES2KIF11AR
SCHEMBL22140214 0.79 PDE2A (0.54) PDE2ACES2ALDH1A1MAPT
SCHEMBL290533 0.78 CES2 (0.50) PDE2ACES2KIF11NOTUMMAPK1
SCHEMBL29454603 0.78 CES2 (0.50) PDE2ACES2KIF11NOTUMMAPK1

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 PDE2A 1075/4885CES2 3085/4885KIF11 3359/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP PDE2A 1075/4885CES2 3085/4885KIF11 3359/4885

“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.