SCHEMBL21718970

SCHEMBL21718970

Cc1cncc(C(C)(C)C)c1I

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL22502918 0.77
SCHEMBL11955173 0.76 GABRA1 (0.32) GABRA1GABRB2CYP1A2CYP2C9CYP2C19
SCHEMBL21719086 0.76
SCHEMBL25625587 0.74 GABRA1 (0.31) GABRA1GABRB2CYP1A2CYP2C9CYP2C19
SCHEMBL21719110 0.73 GABRA1 (0.30) GABRA1GABRB2CYP1A2CYP2C9CYP2C19
SCHEMBL25971694 0.73 POLB (0.38) GABRA1GABRB2CYP1A2CYP2C9CYP2C19
SCHEMBL20457095 0.73 GABRA1 (0.30) GABRA1GABRB2CYP1A2CYP2C9CYP2C19
SCHEMBL21719087 0.73 ALOX5AP (0.31) GABRA1GABRB2CYP1A2CYP2C9CYP2C19
SCHEMBL21451349 0.72 CA2 (0.35) GABRA1GABRB2CYP1A2CYP2C9CYP2C19
SCHEMBL20180203 0.70

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
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
EP-3611165-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP 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 GABRA1 1656/4885GABRB2 2694/4885CYP1A2 6/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK GABRA1 1656/4885GABRB2 2694/4885CYP1A2 6/4885

“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.