SCHEMBL21719031

SCHEMBL21719031

COCOc1cccc(Br)c1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.36
HTR7 P34969 1/20 0.34
EGFR P00533 2/20 0.33
MAPT P10636 3/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
HPGD P15428 2/20 0.32
CYP2C19 P33261 2/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 2/20 0.31
MAPK1 P28482 1/20 0.31
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
JAK2 O60674 1/20 0.31
ABL1 P00519 1/20 0.31
NTRK1 P04629 1/20 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
SCHEMBL21718433 0.85 HTR7 (0.40) HTR7MAPTL3MBTL1HPGDCYP2C19
SCHEMBL21719098 0.82 ALDH1A1 (0.41) HTR7MAPTL3MBTL1HPGDCYP2C19
SCHEMBL21718431 0.82 SMN1; SMN2 (0.41) PTPN1EGFRMAPTL3MBTL1HPGD
SCHEMBL21718430 0.81 PTPN1 (0.46) PTPN1EGFRMAPTL3MBTL1CYP1A2
SCHEMBL5735922 0.80 CA1 (0.42) MAPTL3MBTL1HPGDCYP2C19NPC1
SCHEMBL21718863 0.79 KCNN4 (0.39) PTPN1EGFRL3MBTL1RAB9ASMN1; SMN2
SCHEMBL21719005 0.79 PTPN1 (0.36) PTPN1EGFRSMN1; SMN2CHEK1AURKA
SCHEMBL21718862 0.79 L3MBTL1 (0.36) PTPN1EGFRMAPTL3MBTL1HPGD
SCHEMBL9082172 0.78 PTPN1 (0.39) PTPN1HTR7EGFRMAPTL3MBTL1
SCHEMBL755670 0.77 HTR7 (0.53) HTR7MAPTL3MBTL1HPGDCYP2C19

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 PTPN1 536/4885HTR7 1446/4885EGFR 4127/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK PTPN1 173/4885HTR7 1099/4885EGFR 4139/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK PTPN1 173/4885HTR7 1099/4885EGFR 4139/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 PTPN1 536/4885HTR7 1446/4885EGFR 4127/4885

“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.