SCHEMBL21718409

SCHEMBL21718409

CC(C)(C)c1ncc(Cl)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.42
HPGD P15428 2/20 0.32
HTT P42858 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
PABPC1 P11940 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL23243126 0.82 PLAU (0.39) PLAUHPGDHTTHSD17B10MEN1
SCHEMBL23050836 0.81 PLAU (0.38) PLAU
SCHEMBL10220668 0.79 HTT (0.33) HPGDHTTHSD17B10MEN1LMNA
SCHEMBL2260139 0.79 PLAU (0.42) PLAUHTTHSD17B10L3MBTL1
SCHEMBL10204664 0.78 LMNA (0.39) PLAUHPGDHTTHSD17B10MEN1
SCHEMBL21719002 0.78 KMT2A (0.46) HPGDHTTHSD17B10MEN1LMNA
SCHEMBL12871591 0.78 HTT (0.33) PLAUHPGDHTTHSD17B10MEN1
SCHEMBL23243299 0.78 PLAU (0.39) PLAUHPGDHTTHSD17B10MEN1
SCHEMBL22949453 0.77 L3MBTL1 (0.33) HPGDHTTHSD17B10MEN1LMNA
SCHEMBL21718830 0.77 CCR1 (0.35) HPGD

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 PLAU 4740/4885HPGD 829/4885HTT 2840/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK PLAU 4253/4885HPGD 159/4885HTT 432/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK PLAU 4253/4885HPGD 159/4885HTT 432/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 PLAU 4740/4885HPGD 829/4885HTT 2840/4885

“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.