SCHEMBL2963689

SCHEMBL2963689

CCOC(=O)c1c(C)nn(C)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
PDE4B Q07343 1/20 0.49
LMNA P02545 3/20 0.48
PDE4D Q08499 4/20 0.47
MAPK1 P28482 1/20 0.46
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
P2RY12 Q9H244 1/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.41

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
SCHEMBL10719087 0.86 L3MBTL1 (0.45) L3MBTL1PDE4BLMNAPDE4DMAPK1
SCHEMBL30984176 0.85 CA12 (0.43) L3MBTL1PDE4BLMNAPDE4DMAPK1
SCHEMBL20709979 0.83 MAPT (0.46) L3MBTL1PDE4BLMNAPDE4DMAPK1
SCHEMBL20027636 0.83 KMT2A (0.41) L3MBTL1PDE4BLMNAPDE4DMAPK1
SCHEMBL8784515 0.82 PDE4D (0.56) L3MBTL1PDE4BPDE4DMAPK1KMT2A
SCHEMBL2956112 0.82 L3MBTL1 (0.55) L3MBTL1LMNASMN1; SMN2HPGDKDM4E
SCHEMBL26104148 0.81 PDE4D (0.48) L3MBTL1PDE4BLMNAPDE4DMAPK1
SCHEMBL10361228 0.80 PDE4D (0.44) L3MBTL1PDE4BLMNAPDE4DMAPK1
SCHEMBL1357725 0.80 KMT2A (0.39) L3MBTL1PDE4BLMNAPDE4DMAPK1
SCHEMBL5212164 0.80 CYP1A2 (0.49) L3MBTL1PDE4BLMNAKMT2ASMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112174891-B Preparation method of penflufen metabolite 浙江省农业科学院 2022-02-01 CN disclosed
CN-112174891-A Preparation method of penflufen metabolite 浙江省农业科学院 2021-01-05 CN disclosed
US-7759291-B2 Pyrazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-20 US disclosed
US-7759291-B2 Pyrazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-20 US disclosed
EP-1711471-B1 PYRAZOLE COMPOUNDS AND USE THEREOF IN NOXIOUS ARTHROPOD PESTS CONTROLLING COMPOSITION SUMITOMO CHEMICAL CO (JP) 2010-03-24 EP disclosed
US-20090192208-A1 Pyrazole compounds and use thereof in noxious arthropod pests controlling composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-30 US disclosed
US-20090192208-A1 Pyrazole compounds and use thereof in noxious arthropod pests controlling composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-30 US disclosed
US-4872901-A PREFERENTIAL TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-10-10 US disclosed
EP-0220695-A1 Herbicidal compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-05-06 EP 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 (1 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-20090192208-A1 Pyrazole compounds and use thereof in noxious arthropod pests controlling composition TRPA1, ACHE, MORF4L1 L3MBTL1 313/4885PDE4B 566/4885LMNA 4386/4885

“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.