SCHEMBL587302

SCHEMBL587302

Cc1nn(C)c(O)c1C(=O)c1ccc(Cl)c(OCCn2cnnn2)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
TP53 P04637 3/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 3/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
NR3C1 P04150 3/20 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
SCHEMBL587801 0.93 MAPK1 (0.35) MAPK1TP53GAALMNAALDH1A1
SCHEMBL588047 0.87 MAPK1 (0.33) MAPK1TP53
SCHEMBL12056712 0.85 ABCB1 (0.36) MAPK1TP53LMNAALDH1A1SMN1; SMN2
SCHEMBL587542 0.83 TP53 (0.32) TP53GAALMNAALDH1A1ALOX15
SCHEMBL588649 0.83 POLB (0.32) LMNA
SCHEMBL587378 0.80 GAA (0.45) MAPK1TP53GAALMNAALDH1A1
SCHEMBL587431 0.79 MAPK1 (0.43) MAPK1TP53GAALMNAALDH1A1
SCHEMBL587146 0.79 MAPK1 (0.43) MAPK1TP53GAALMNAALDH1A1
SCHEMBL587873 0.77 MAPK1 (0.37) MAPK1TP53GAALMNAALOX15
SCHEMBL587233 0.75 MAPK1 (0.41) MAPK1TP53GAALMNAALDH1A1

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 10 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

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 2176/4885TP53 3125/4885GAA 2641/4885

“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.