SCHEMBL21720948

SCHEMBL21720948

Cc1cc(C#N)n(C(C)(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.40
ALDH1A1 P00352 4/20 0.36
ATM Q13315 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 3/20 0.34
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC8 Q9BY41 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL21720616 0.78
SCHEMBL4409292 0.72
SCHEMBL9607537 0.72 ATM (0.39) GAAALDH1A1ATML3MBTL1POLB
SCHEMBL12462469 0.72 GAA (0.43) GAAALDH1A1ATML3MBTL1POLB
SCHEMBL2733622 0.72 ALDH1A1 (0.41) GAAALDH1A1ATML3MBTL1POLB
SCHEMBL7055414 0.71 LMNA (0.38) GAAALDH1A1POLBPKMKDM4E
SCHEMBL12912050 0.69 ATM (0.40) GAAALDH1A1ATML3MBTL1POLB
SCHEMBL21720660 0.68 ATM (0.39) GAAALDH1A1ATML3MBTL1POLB
SCHEMBL21718652 0.68 ATM (0.39) GAAALDH1A1ATML3MBTL1POLB
SCHEMBL21719846 0.68 ATM (0.39) GAAALDH1A1ATML3MBTL1POLB

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 GAA 1772/4885ALDH1A1 894/4885ATM 3458/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK GAA 1772/4885ALDH1A1 894/4885ATM 3458/4885

“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.