SCHEMBL21719216

SCHEMBL21719216

CCCCCCC(C)(CCCCC)c1cccn1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.35
RAB9A P51151 7/20 0.35
HTT P42858 5/20 0.35
LMNA P02545 3/20 0.35
GALR3 O60755 2/20 0.35
POLB P06746 2/20 0.35
ATM Q13315 2/20 0.35
MAPK1 P28482 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
APOBEC3A P31941 2/20 0.35
APOBEC3G Q9HC16 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35
RAD52 P43351 1/20 0.35
PAX8 Q06710 1/20 0.35
NR2F2 P24468 1/20 0.35
NOD2 Q9HC29 1/20 0.35
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL22236494 1.00 NPC1 (0.35) NPC1RAB9AHTTLMNAGALR3
SCHEMBL18946121 0.86 L3MBTL1 (0.32) L3MBTL1
SCHEMBL10507222 0.79 CNR2 (0.32) CNR2CNR1
SCHEMBL13868021 0.77 L3MBTL1 (0.36) NPC1RAB9AMAPTL3MBTL1
SCHEMBL21719381 0.72 KDM4E (0.33) NPC1RAB9AHTTLMNAGALR3
SCHEMBL21719419 0.72 CNR2 (0.33) NPC1RAB9AHTTLMNAGALR3
SCHEMBL21719379 0.72 CNR2 (0.36) NPC1RAB9AHTTLMNAGALR3
SCHEMBL23431986 0.71 TBXAS1 (0.35) CNR2CNR1
SCHEMBL21719218 0.71 CNR2 (0.33) NPC1RAB9AHTTLMNAGALR3
SCHEMBL21719627 0.71 CNR2 (0.39) HTTCNR2CNR1

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.