SCHEMBL22140255

SCHEMBL22140255

CCCCC(C)(C)c1nccnc1C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
AR P10275 1/20 0.31
CNR1 P21554 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL10486703 0.82 CNR2 (0.39) CNR2CNR1
SCHEMBL22858619 0.79 TLR8 (0.33) CNR2CNR1
SCHEMBL22140362 0.79
SCHEMBL21719309 0.77 KDM4E (0.31) CNR2KDM4EHPGD
SCHEMBL18793226 0.69 CNR2 (0.34) CNR2KDM4EALDH1A1POLBKMT2A
SCHEMBL19935583 0.69
SCHEMBL23419080 0.69 SSTR4 (0.41) CNR2KDM4ECNR1LMNATSHR
SCHEMBL18427286 0.68 KDM4E (0.40) CNR2KDM4EHPGDALDH1A1KMT2A
SCHEMBL18467308 0.67 CNR2 (0.38) CNR2CNR1
SCHEMBL22140379 0.67 CYP19A1 (0.40) CNR2CNR1ESR1ESR2

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 CNR2 2986/4885KDM4E 791/4885HPGD 1087/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP CNR2 2986/4885KDM4E 791/4885HPGD 1087/4885

“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.