SCHEMBL587873

SCHEMBL587873

Cc1cc(OC(=O)c2ccc(Cl)c(OCCn3cnnn3)c2Cl)n(C)n1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
GAA P10253 1/20 0.33
TP53 P04637 3/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ALOX15 P16050 2/20 0.31
MAPT P10636 2/20 0.31
HSD17B10 Q99714 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
SCHEMBL587551 0.95 MAPK1 (0.36) MAPK1GAATP53LMNATHRB
SCHEMBL588251 0.87 MAPK1 (0.34) MAPK1TP53LMNA
SCHEMBL6491274 0.85 MAPK1 (0.36) MAPK1GAATP53LMNAKMT2A
SCHEMBL587234 0.83 POLB (0.31) KMT2AALOX15MAPT
SCHEMBL587378 0.83 GAA (0.45) MAPK1GAATP53LMNAKMT2A
SCHEMBL6481693 0.82 MAPK1 (0.35) MAPK1GAATP53LMNAKMT2A
SCHEMBL587253 0.82 KMT2A (0.34) TP53LMNAKMT2AMEN1ALOX15
SCHEMBL587431 0.79 MAPK1 (0.43) MAPK1GAATP53LMNATHRB
SCHEMBL587146 0.79 MAPK1 (0.43) MAPK1GAATP53LMNAKMT2A
SCHEMBL588006 0.78 GAA (0.44) MAPK1GAATP53LMNAKMT2A

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 11 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
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-8084398-B2 Benzoylpyrazoles and herbicide BAYER CROPSCIENCE AG (DE) 2011-12-27 US 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
US-20100094023-A1 BENZOYLPYRAZOLES AND HERBICIDE BAYER CROPSCIENCE AG (DE) 2010-04-15 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
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 2176/4885GAA 2641/4885TP53 3125/4885

“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.