SCHEMBL20181749

SCHEMBL20181749

CCC(C)(C)c1ncc(Cl)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
APEX1 P27695 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PLAU P00749 1/20 0.34
CRHR1 P34998 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
RORC P51449 1/20 0.32
HTT P42858 3/20 0.32
HSD17B10 Q99714 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.31
HPGD P15428 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
SCHEMBL18994826 0.85 LMNA (0.35) LMNACYP2C9TSHRAPEX1SMN1; SMN2
SCHEMBL23050836 0.81 PLAU (0.38) PLAU
SCHEMBL21794184 0.81 GRIN2B (0.33) RORCHTTHSD17B10
SCHEMBL10204664 0.79 LMNA (0.39) LMNACYP2C9TSHRAPEX1SMN1; SMN2
SCHEMBL20181887 0.79 ALDH1A1 (0.45) SMN1; SMN2PLAUL3MBTL1HTTMEN1
SCHEMBL18811741 0.78 RXRA (0.33)
SCHEMBL18811837 0.76 ALDH1A1 (0.41) LMNAHTTHSD17B10MAPK1
SCHEMBL31409938 0.76 PLAU (0.40) LMNACYP2C9TSHRAPEX1SMN1; SMN2
SCHEMBL13894474 0.76 LMNA (0.37) LMNACYP2C9TSHRAPEX1SMN1; SMN2
SCHEMBL17186974 0.76 PLAU (0.40) LMNACYP2C9TSHRAPEX1SMN1; SMN2

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-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-11008339-B2 Substituted pyrazole compounds containing pyrimidine and preparation method and use thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2021-05-18 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-20180141961-A1 Substituted Pyrazole Compounds Containing Pyrimidine and Preparation Method and Use Thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2018-05-24 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 LMNA 3904/4885CYP2C9 58/4885TSHR 2413/4885
US-20180141961-A1 Substituted Pyrazole Compounds Containing Pyrimidine and Preparation Method and Use Thereof APRT, GART, PNP LMNA 3484/4885CYP2C9 192/4885TSHR 3754/4885
US-11008339-B2 Substituted pyrazole compounds containing pyrimidine and preparation method and use thereof APRT, GART, PNP LMNA 3484/4885CYP2C9 192/4885TSHR 3754/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 LMNA 3904/4885CYP2C9 58/4885TSHR 2413/4885

“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.