SCHEMBL21718974

SCHEMBL21718974

CC(C)(C)c1ncc(N2CCCCC2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.45
CHRNA4 P43681 8/20 0.45
MAPT P10636 2/20 0.39
IP6K1 Q92551 1/20 0.38
TP53 P04637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNA7 P36544 1/20 0.35
CNR2 P34972 1/20 0.35
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL21718816 0.98 CHRNB2 (0.46) CHRNB2CHRNA4MAPTIP6K1TP53
SCHEMBL25596627 0.84 CHRNB2 (0.44) CHRNB2CHRNA4MAPTIP6K1KDM4E
SCHEMBL20389083 0.78 CHRNB2 (0.38) CHRNB2CHRNA4KDM4E
SCHEMBL7193385 0.75 CHRNB2 (0.72) CHRNB2CHRNA4MAPTIP6K1KDM4E
SCHEMBL24595121 0.74 CHRNB2 (0.45) CHRNB2CHRNA4MAPTIP6K1TP53
SCHEMBL21736869 0.74 CHRNB2 (0.45) CHRNB2CHRNA4MAPTIP6K1TP53
SCHEMBL21736833 0.72 CHRNB2 (0.46) CHRNB2CHRNA4MAPTIP6K1TP53
SCHEMBL26795881 0.72 MAPT (0.41) CHRNB2CHRNA4MAPTTP53KDM4E
SCHEMBL26323660 0.71 ALDH1A1 (0.51) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL21718936 0.70 MEN1 (0.47) MAPTTP53KDM4EMEN1KMT2A

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 4 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-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-09-14 US disclosed
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-04 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 (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-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CBR3, CBR1 CHRNB2 3454/4885CHRNA4 2579/4885MAPT 4211/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK CHRNB2 3118/4885CHRNA4 2070/4885MAPT 3100/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK CHRNB2 3118/4885CHRNA4 2070/4885MAPT 3100/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 CHRNB2 3454/4885CHRNA4 2579/4885MAPT 4211/4885

“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.