SCHEMBL21718397

SCHEMBL21718397

CC(C)(C)c1c(F)cc(N)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.38
TSHR P16473 1/20 0.33
NR1H4 Q96RI1 2/20 0.33
TP53 P04637 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
POLB P06746 1/20 0.30
APEX1 P27695 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
SCHEMBL12343895 0.84 ALDH1A1 (0.35) ALDH1A1TSHRPOLB
SCHEMBL14130876 0.78 RIPK1 (0.32) POLBAPEX1
SCHEMBL78435 0.78 L3MBTL1 (0.35) ALDH1A1CA2POLBAPEX1
SCHEMBL21718909 0.75
SCHEMBL21718953 0.75 GAA (0.41)
SCHEMBL24594968 0.75 HTT (0.34) ALDH1A1POLBAPEX1
SCHEMBL21718952 0.73 NR1H4 (0.37) TSHRNR1H4
SCHEMBL21718954 0.72 NR1H4 (0.37) ALDH1A1TSHRNR1H4POLBAPEX1
SCHEMBL26501430 0.72 CYP3A4 (0.38) CYP3A4ALDH1A1THRBTSHRNR1H4
SCHEMBL29739453 0.71 CYP3A4 (0.46) CYP3A4ALDH1A1THRBTSHRTP53

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 4 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-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-09-14 US disclosed
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-04 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 (4 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-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CBR3, CBR1 CYP3A4 29/4885ALDH1A1 525/4885THRB 3669/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK CYP3A4 19/4885ALDH1A1 894/4885THRB 3241/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK CYP3A4 19/4885ALDH1A1 894/4885THRB 3241/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 CYP3A4 29/4885ALDH1A1 525/4885THRB 3669/4885

“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.