SCHEMBL21721160

SCHEMBL21721160

CC(=O)Nc1c(C)nn(C(C)(C)C)c1I

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
LMNA P02545 3/20 0.35
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 3/20 0.35
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
POLB P06746 3/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 3/20 0.33
GAA P10253 2/20 0.33
HTT P42858 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
ATM Q13315 1/20 0.33
MAPT P10636 4/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
XBP1 P17861 1/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL21719783 0.86 LMNA (0.35) CYP2C19CYP1A2LMNAALDH1A1KDM4E
SCHEMBL21721179 0.83 ALDH1A1 (0.36) CYP2C19CYP1A2LMNAALDH1A1KDM4E
SCHEMBL21721159 0.83 LMNA (0.33) CYP2C19CYP1A2LMNAALDH1A1KDM4E
SCHEMBL21719809 0.82 CYP2C19 (0.45) CYP2C19CYP1A2LMNAALDH1A1KDM4E
SCHEMBL21719786 0.81 ALDH1A1 (0.34) CYP1A2LMNAALDH1A1KDM4EHTT
SCHEMBL21721540 0.79 CYP2C19 (0.37) CYP2C19CYP1A2LMNAALDH1A1KDM4E
SCHEMBL21721155 0.79 ALDH1A1 (0.38) CYP2C19CYP1A2ALDH1A1KDM4ERAB9A
SCHEMBL21721137 0.78 CYP1A2 (0.36) CYP2C19CYP1A2LMNAALDH1A1KDM4E
SCHEMBL21719814 0.77 LMNA (0.39) CYP2C19CYP1A2LMNAALDH1A1KDM4E
SCHEMBL21721531 0.73 LMNA (0.33) CYP2C19CYP1A2LMNAALDH1A1KDM4E

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 CYP2C19 28/4885CYP1A2 6/4885LMNA 2672/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK CYP2C19 28/4885CYP1A2 6/4885LMNA 2672/4885

“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.