SCHEMBL21719786

SCHEMBL21719786

COc1nn(C(C)(C)C)c(I)c1NC(C)=O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 1/20 0.33
IDO1 P14902 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SAE1 Q9UBE0 1/20 0.31
UBA2 Q9UBT2 1/20 0.31
KCNQ3 O43525 2/20 0.31
KCNQ2 O43526 2/20 0.31
HTT P42858 1/20 0.30
MAPK8 P45983 1/20 0.30
MAPK9 P45984 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
SCHEMBL21721549 0.83 ALDH1A1 (0.35) ALDH1A1KDM4ECYP1A2CYP2C9IDO1
SCHEMBL21721147 0.83 ALDH1A1 (0.38) ALDH1A1KDM4ECYP1A2CYP2C9IDO1
SCHEMBL21721171 0.82 ALDH1A1 (0.34) ALDH1A1KDM4ECYP1A2CYP2C9IDO1
SCHEMBL21721161 0.82 ALDH1A1 (0.35) ALDH1A1KDM4ECYP1A2CYP2C9IDO1
SCHEMBL21719783 0.81 LMNA (0.35) ALDH1A1KDM4ECYP1A2LMNAHTT
SCHEMBL21721160 0.81 CYP2C19 (0.37) ALDH1A1KDM4ECYP1A2CYP2C9LMNA
SCHEMBL21721179 0.78 ALDH1A1 (0.36) ALDH1A1KDM4ECYP1A2LMNAMAPT
SCHEMBL21721159 0.78 LMNA (0.33) ALDH1A1KDM4ECYP1A2LMNAHTT
SCHEMBL21721548 0.76 KDM4E (0.33) ALDH1A1KDM4ECYP1A2CYP2C9IDO1
SCHEMBL21720691 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 ALDH1A1 894/4885KDM4E 595/4885CYP1A2 6/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK ALDH1A1 894/4885KDM4E 595/4885CYP1A2 6/4885

“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.