SCHEMBL21721165

SCHEMBL21721165

COc1c(NC(C)=O)c(Cl)nn1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
IDO1 P14902 1/20 0.33
ATR Q13535 1/20 0.32
MAPT P10636 4/20 0.31
HSD17B10 Q99714 1/20 0.31
SAE1 Q9UBE0 1/20 0.31
UBA2 Q9UBT2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TP53 P04637 1/20 0.31
RIPK2 O43353 1/20 0.30
LMNA P02545 2/20 0.30
GAA P10253 2/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 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
SCHEMBL21719814 0.84 LMNA (0.39) KDM4EALDH1A1HTTCYP1A2CYP2C9
SCHEMBL21721549 0.83 ALDH1A1 (0.35) KDM4EALDH1A1HTTCYP1A2CYP2C9
SCHEMBL21721188 0.82 KDM4E (0.33) KDM4EALDH1A1HTTCYP1A2CYP2C9
SCHEMBL21721548 0.82 KDM4E (0.33) KDM4EALDH1A1HTTCYP1A2CYP2C9
SCHEMBL21719766 0.81 ALDH1A1 (0.38) KDM4EALDH1A1HTTCYP1A2MAPT
SCHEMBL21721545 0.80 ALDH1A1 (0.37) KDM4EALDH1A1HTTCYP1A2MAPT
SCHEMBL21721527 0.78 ALDH1A1 (0.36) KDM4EALDH1A1HTTCYP1A2MAPT
SCHEMBL21721179 0.78 ALDH1A1 (0.36) KDM4EALDH1A1HTTCYP1A2MAPT
SCHEMBL21721161 0.76 ALDH1A1 (0.35) KDM4EALDH1A1HTTCYP1A2CYP2C9
SCHEMBL21720636 0.71

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-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-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 (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-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK KDM4E 595/4885ALDH1A1 894/4885HTT 432/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK KDM4E 595/4885ALDH1A1 894/4885HTT 432/4885

“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.