SCHEMBL21718921

SCHEMBL21718921

CC(C)(C)c1ncc(Br)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 3/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 2/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DYRK1A Q13627 2/20 0.31

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
SCHEMBL29989503 0.84 PLAU (0.40) PLAUSMN1; SMN2KMT2AHTTMEN1
SCHEMBL29268175 0.84 PLAU (0.40) PLAUSMN1; SMN2KMT2AHTTMEN1
SCHEMBL25206015 0.84 PLAU (0.43) PLAUSMN1; SMN2KMT2AHTTMEN1
SCHEMBL16654525 0.84 PLAU (0.40) PLAUSMN1; SMN2KMT2AHTTMEN1
SCHEMBL29818360 0.84 PLAU (0.43) PLAUSMN1; SMN2KMT2AHTTMEN1
SCHEMBL15218660 0.81 CCR1 (0.35) HTT
SCHEMBL18335100 0.80 PLAU (0.40) PLAUSMN1; SMN2KMT2AHTTMEN1
SCHEMBL18335140 0.80 PLAU (0.37) PLAUSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL15674757 0.79 PLAU (0.42) PLAUSMN1; SMN2KMT2AHTTKDM4E
SCHEMBL21719002 0.78 KMT2A (0.46) SMN1; SMN2KMT2AHTTMEN1KDM4E

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 4740/4885SMN1; SMN2 4427/4885KMT2A 1903/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK PLAU 4253/4885SMN1; SMN2 3624/4885KMT2A 1335/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK PLAU 4253/4885SMN1; SMN2 3624/4885KMT2A 1335/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 PLAU 4740/4885SMN1; SMN2 4427/4885KMT2A 1903/4885

“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.