SCHEMBL21719787

SCHEMBL21719787

CC(=O)Nc1c(F)nn(C(C)(C)C)c1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
POLB P06746 2/20 0.33
PKM P14618 1/20 0.33
P2RX7 Q99572 1/20 0.32
HTT P42858 2/20 0.32
ATM Q13315 1/20 0.32
PIK3CG P48736 1/20 0.32
MAPT P10636 3/20 0.31
XBP1 P17861 1/20 0.31
MAPK1 P28482 1/20 0.31
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL21721157 0.85 NPC1 (0.33) CYP1A2CYP2C19ALDH1A1KDM4ENPC1
SCHEMBL21719809 0.84 CYP2C19 (0.45) CYP1A2CYP2C19ALDH1A1KDM4ENPC1
SCHEMBL21719759 0.82 ALDH1A1 (0.36) CYP1A2CYP2C19ALDH1A1KDM4ENPC1
SCHEMBL21721159 0.82 LMNA (0.33) CYP1A2CYP2C19ALDH1A1KDM4EHTT
SCHEMBL21721545 0.80 ALDH1A1 (0.37) CYP1A2CYP2C19ALDH1A1KDM4ENPC1
SCHEMBL21721137 0.80 CYP1A2 (0.36) CYP1A2CYP2C19ALDH1A1KDM4ENPC1
SCHEMBL21721188 0.80 KDM4E (0.33) CYP1A2CYP2C19ALDH1A1KDM4EHTT
SCHEMBL21721540 0.78 CYP2C19 (0.37) CYP1A2CYP2C19ALDH1A1KDM4ENPC1
SCHEMBL21721147 0.78 ALDH1A1 (0.38) CYP1A2CYP2C19ALDH1A1KDM4ENPC1
SCHEMBL21721531 0.72 LMNA (0.33) CYP1A2CYP2C19ALDH1A1KDM4EHTT

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 CYP1A2 6/4885CYP2C19 28/4885ALDH1A1 894/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK CYP1A2 6/4885CYP2C19 28/4885ALDH1A1 894/4885

“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.