SCHEMBL588251

SCHEMBL588251

Cn1nc(C2CC2)cc1OC(=O)c1ccc(Cl)c(OCCn2cnnn2)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.34
HTR4 Q13639 1/20 0.32
PDE4B Q07343 2/20 0.32
IDO1 P14902 1/20 0.31
GPR139 Q6DWJ6 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 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
SCHEMBL587873 0.87 MAPK1 (0.37) MAPK1LMNATP53
SCHEMBL587551 0.82 MAPK1 (0.36) MAPK1HTR4LMNATP53
SCHEMBL6491274 0.81 MAPK1 (0.36) MAPK1HTR4LMNATP53
SCHEMBL6481693 0.79 MAPK1 (0.35) MAPK1LMNATP53
SCHEMBL587378 0.78 GAA (0.45) MAPK1KDM4ELMNATP53
SCHEMBL588047 0.78 MAPK1 (0.33) MAPK1HTR4TP53
SCHEMBL587146 0.75 MAPK1 (0.43) MAPK1KDM4ELMNATP53
SCHEMBL587431 0.75 MAPK1 (0.43) MAPK1KDM4ELMNATP53
SCHEMBL6480302 0.75 MAPK1 (0.35) MAPK1HTR4TP53
SCHEMBL6480855 0.75 MAPK1 (0.36) MAPK1HTR4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081925-B1 Benzoylpyrazoles, their use as herbicides, and intermediates BAYER CROPSCIENCE AG (DE) 2012-02-15 EP disclosed
US-8084398-B2 Benzoylpyrazoles and herbicide BAYER CROPSCIENCE AG (DE) 2011-12-27 US disclosed
US-20100094023-A1 BENZOYLPYRAZOLES AND HERBICIDE BAYER CROPSCIENCE AG (DE) 2010-04-15 US disclosed
EP-2081925-A1 BENZOYLPYRAZOLES, THEIR USE AS AS HERBICIDES, AND INTERMEDIATES Bayer CropScience AG (DE) 2009-07-29 EP disclosed
WO-2008043456-A1 BENZOYLPYRAZOLES, THEIR USE AS AS HERBICIDES, AND INTERMEDIATES BAYER CROPSCIENCE AG (DE) 2008-04-17 WO 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-20100094023-A1 BENZOYLPYRAZOLES AND HERBICIDE ATL3, AHR, HACL2 MAPK1 2176/4885HTR4 1820/4885PDE4B 4251/4885

“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.