SCHEMBL21720004

SCHEMBL21720004

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CNR2 P34972 8/20 0.35
ASAH1 Q13510 1/20 0.35
NPC1 O15118 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
CNR1 P21554 6/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 2/20 0.33
GLA P06280 1/20 0.33
GLS O94925 1/20 0.32

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
SCHEMBL21165940 1.00 KMT2A (0.35) KMT2AALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL24590365 0.98 KMT2A (0.36) KMT2AALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL21718653 0.84 CNR2 (0.33) CNR2ASAH1CNR1
SCHEMBL21719997 0.84 CNR2 (0.33) CNR2ASAH1CNR1
SCHEMBL21719920 0.84 CNR2 (0.36) CNR2ASAH1CNR1
SCHEMBL21165946 0.84 CNR2 (0.33) CNR2CNR1
SCHEMBL21720011 0.84 CNR2 (0.33) CNR2ASAH1CNR1
SCHEMBL21719851 0.84 ASAH1 (0.36) CNR2ASAH1CNR1
SCHEMBL21719841 0.82 CNR2 (0.36) KMT2AMEN1CYP1A2CYP3A4CNR2
SCHEMBL21719262 0.82 LMNA (0.39) ALDH1A1L3MBTL1CNR2ASAH1CNR1

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 KMT2A 1335/4885ALDH1A1 894/4885MEN1 511/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK KMT2A 1335/4885ALDH1A1 894/4885MEN1 511/4885

“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.