SCHEMBL587899

SCHEMBL587899

COc1nnnn1CCOc1c(Br)ccc(C(=O)Oc2cc(C)nn2C)c1C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
ALOX15 P16050 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
HSD11B1 P28845 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
SCHEMBL587840 0.90 MAPT (0.32) MAPTKMT2AALOX15
SCHEMBL587445 0.88 MAPT (0.31) MAPTKMT2AALOX15
SCHEMBL588676 0.83 MAPT (0.38) MAPTKMT2AALOX15HSD11B1
SCHEMBL587621 0.82 HSD11B1 (0.35) MAPTKMT2AHSD11B1
SCHEMBL588368 0.82 LMNA (0.33) MAPTKMT2AALOX15
SCHEMBL587541 0.81 HSD11B1 (0.33) HSD11B1
SCHEMBL587560 0.79 HPGD (0.33) MAPTKMT2AALOX15
SCHEMBL588675 0.72 MAPK1 (0.42) MAPTKMT2AALOX15
SCHEMBL587253 0.71 KMT2A (0.34) MAPTKMT2AALOX15
SCHEMBL588269 0.71 MAPK1 (0.36) MAPTKMT2AHSD11B1

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 MAPT 3867/4885KMT2A 896/4885ALOX15 2993/4885

“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.