SCHEMBL21721576

SCHEMBL21721576

COc1nncn1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
P2RX7 Q99572 1/20 0.31
KMT2A Q03164 2/20 0.31
KLK7 P49862 1/20 0.31
KLK14 Q9P0G3 1/20 0.31
KLK5 Q9Y337 1/20 0.31
F2 P00734 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL21721567 0.67 P2RX7 (0.36) TDP1ALDH1A1LMNAP2RX7
SCHEMBL21721565 0.67 TDP1 (0.35) TDP1ALDH1A1LMNA
SCHEMBL11915925 0.67 TDP1 (0.35) TDP1ALDH1A1LMNA
SCHEMBL21721566 0.67 TDP1 (0.35) TDP1ALDH1A1LMNA
SCHEMBL21721569 0.67 TDP1 (0.35) TDP1ALDH1A1LMNA
SCHEMBL24191725 0.67 ALDH1A1 (0.38) TDP1ALDH1A1LMNAKMT2AKLK7
SCHEMBL21721568 0.67 TDP1 (0.35) TDP1ALDH1A1LMNA
SCHEMBL21720005 0.67 TNKS (0.30)
SCHEMBL20843903 0.65
SCHEMBL21720035 0.64 MAPK13 (0.34) TDP1ALDH1A1LMNA

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 TDP1 945/4885ALDH1A1 894/4885LMNA 2672/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK TDP1 945/4885ALDH1A1 894/4885LMNA 2672/4885

“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.