SCHEMBL588675

SCHEMBL588675

CCOC(=O)c1ccc(Br)c(OCCn2nnnc2C)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TBXAS1 P24557 1/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 2/20 0.34
KDM4E B2RXH2 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL588676 0.89 MAPT (0.38) MAPK1MEN1KMT2AMAPTNPSR1
SCHEMBL588269 0.88 MAPK1 (0.36) MAPK1MEN1KMT2AMAPTUSP2
SCHEMBL587890 0.87 MAPK1 (0.36) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL587840 0.82 MAPT (0.32) MAPK1KMT2AMAPTALOX15
SCHEMBL587810 0.80 MEN1 (0.37) MAPK1MEN1KMT2AMAPTNPSR1
SCHEMBL587574 0.77 KMT2A (0.44) MAPK1MEN1KMT2AMAPTNPSR1
SCHEMBL9304224 0.77 MAPT (0.51) MAPK1MEN1KMT2AMAPTNPSR1
SCHEMBL8526820 0.76 KMT2A (0.44) MAPK1MEN1KMT2AMAPTNPSR1
SCHEMBL587621 0.76 HSD11B1 (0.35) MEN1KMT2AMAPTUSP2ALDH1A1
SCHEMBL587541 0.75 HSD11B1 (0.33) USP2ALDH1A1SMN1; SMN2

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 2176/4885MEN1 4437/4885KMT2A 896/4885

“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.