SCHEMBL21719262

SCHEMBL21719262

CCCCCCCC(C)(CCCC)n1nc(C(F)(F)F)cc1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
ASAH1 Q13510 1/20 0.34
ALPL P05186 3/20 0.32
ALPI P09923 3/20 0.32
CNR2 P34972 3/20 0.32
CES2 O00748 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TP53 P04637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.31
CNR1 P21554 2/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
PDPK1 O15530 1/20 0.30
PTGS2 P35354 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
SCHEMBL21721089 0.86 ALPL (0.32) LMNAASAH1ALPLALPICNR2
SCHEMBL21720887 0.84 ALPL (0.32) LMNAASAH1ALPLALPI
SCHEMBL21720883 0.84 ALPL (0.32) LMNAASAH1ALPLALPICNR2
SCHEMBL21720873 0.84 GABRA2 (0.33) LMNAASAH1ALPLALPIPTGS2
SCHEMBL21719997 0.82 CNR2 (0.33) ASAH1CNR2CNR1
SCHEMBL21720939 0.82 KDM4E (0.36) ASAH1ALPLALPICNR2KDM4E
SCHEMBL21720004 0.82 KMT2A (0.35) ASAH1CNR2KDM4EL3MBTL1TSHR
SCHEMBL21165940 0.82 KMT2A (0.35) ASAH1CNR2KDM4EL3MBTL1TSHR
SCHEMBL24590365 0.80 KMT2A (0.36) ASAH1CNR2KDM4EL3MBTL1TSHR
SCHEMBL21165946 0.79 CNR2 (0.33) CNR2CNR1

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 LMNA 2672/4885ASAH1 3007/4885ALPL 3531/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK LMNA 2672/4885ASAH1 3007/4885ALPL 3531/4885

“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.