SCHEMBL21721157

SCHEMBL21721157

CC(=O)Nc1c(F)nn(C(C)(C)C)c1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
ATM Q13315 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
SCHEMBL21721540 0.86 CYP2C19 (0.37) NPC1RAB9AHTTKDM4EALDH1A1
SCHEMBL21719787 0.85 CYP1A2 (0.36) NPC1RAB9AHTTKDM4EALDH1A1
SCHEMBL21721527 0.83 ALDH1A1 (0.36) NPC1RAB9AHTTKDM4EALDH1A1
SCHEMBL21721531 0.83 LMNA (0.33) HTTKDM4EALDH1A1CYP1A2CYP2C19
SCHEMBL21721159 0.83 LMNA (0.33) HTTKDM4EALDH1A1CYP1A2CYP2C19
SCHEMBL21719759 0.83 ALDH1A1 (0.36) NPC1RAB9AHTTKDM4EALDH1A1
SCHEMBL21721171 0.81 ALDH1A1 (0.34) NPC1RAB9AHTTKDM4EALDH1A1
SCHEMBL21721188 0.81 KDM4E (0.33) HTTKDM4EALDH1A1CYP1A2CYP2C19
SCHEMBL21719809 0.71 CYP2C19 (0.45) NPC1RAB9AHTTKDM4EALDH1A1
SCHEMBL21720715 0.66

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 NPC1 3861/4885RAB9A 3141/4885HTT 432/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK NPC1 3861/4885RAB9A 3141/4885HTT 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.