SCHEMBL21718652

SCHEMBL21718652

Cc1cc(I)n(C(C)(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
GAA P10253 3/20 0.36
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL21720436 0.79
SCHEMBL2733622 0.76 ALDH1A1 (0.41) ATMALDH1A1L3MBTL1POLBPKM
SCHEMBL21718875 0.76
SCHEMBL20843908 0.76
SCHEMBL21166026 0.76 POLB (0.44) ATMALDH1A1L3MBTL1POLBPKM
SCHEMBL21720463 0.74
SCHEMBL21720000 0.73 GAA (0.41) ATMALDH1A1L3MBTL1POLBPKM
SCHEMBL21719846 0.73 ATM (0.39) ATMALDH1A1L3MBTL1POLBPKM
SCHEMBL399615 0.73 POLB (0.44) ATMALDH1A1L3MBTL1POLBPKM
SCHEMBL21720660 0.73 ATM (0.39) ATMALDH1A1L3MBTL1POLBPKM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
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 ATM 3458/4885ALDH1A1 894/4885L3MBTL1 3199/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK ATM 3458/4885ALDH1A1 894/4885L3MBTL1 3199/4885

“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.