SCHEMBL588676

SCHEMBL588676

CCOC(=O)c1ccc(Br)c(OCCn2nnnc2OC)c1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
TBXAS1 P24557 1/20 0.36
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.34
DPP4 P27487 2/20 0.33
JMJD6 Q6NYC1 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD11B1 P28845 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL588675 0.89 MAPK1 (0.42) MAPTKMT2AMEN1USP2ALOX15
SCHEMBL587541 0.88 HSD11B1 (0.33) USP2SMN1; SMN2ALDH1A1HSD11B1
SCHEMBL587810 0.78 MEN1 (0.37) MAPTKMT2AMEN1USP2ALOX15
SCHEMBL588269 0.76 MAPK1 (0.36) MAPTKMT2AMEN1USP2TSHR
SCHEMBL8526820 0.76 KMT2A (0.44) MAPTKMT2AMEN1USP2ALOX15
SCHEMBL587890 0.75 MAPK1 (0.36) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL587574 0.75 KMT2A (0.44) MAPTKMT2AMEN1USP2ALOX15
SCHEMBL9304224 0.74 MAPT (0.51) MAPTKMT2AMEN1USP2ALOX15
SCHEMBL18468249 0.74 MEN1 (0.52) MAPTKMT2AMEN1USP2ALOX15
SCHEMBL587445 0.72 MAPT (0.31) MAPTKMT2AALOX15

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 896/4885MEN1 4437/4885

“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.