SCHEMBL587378

SCHEMBL587378

CCOC(=O)c1ccc(Cl)c(OCCn2cnnn2)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
USP2 O75604 1/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 2/20 0.38
TBXAS1 P24557 1/20 0.38
NOTUM Q6P988 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38
BAZ2A Q9UIF9 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
TEAD2 Q15562 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
ESR2 Q92731 1/20 0.37

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
SCHEMBL588006 0.94 GAA (0.44) GAAMAPK1ALDH1A1LMNAUSP2
SCHEMBL6489572 0.86 GAA (0.41) GAAMAPK1ALDH1A1LMNAHTT
SCHEMBL587146 0.86 MAPK1 (0.43) GAAMAPK1ALDH1A1LMNATP53
SCHEMBL587431 0.86 MAPK1 (0.43) GAAMAPK1ALDH1A1LMNATP53
SCHEMBL587873 0.83 MAPK1 (0.37) GAAMAPK1LMNATP53MEN1
SCHEMBL6491274 0.83 MAPK1 (0.36) GAAMAPK1LMNATP53MEN1
SCHEMBL587100 0.82 TP53 (0.44) GAAMAPK1ALDH1A1LMNATP53
SCHEMBL6481693 0.82 MAPK1 (0.35) GAAMAPK1LMNAHTTTP53
SCHEMBL587233 0.82 MAPK1 (0.41) GAAMAPK1ALDH1A1LMNATP53
SCHEMBL587534 0.82 MAPK1 (0.41) GAAMAPK1ALDH1A1LMNATP53

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 12 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-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
US-20050090398-A1 Novel tetrazole derivative useful as herbicides YANAGI AKIHIKO (JP) 2005-04-28 US disclosed
EP-1476437-A1 NOVEL TETRAZOLE DERIVATIVE USEFUL AS HERBICIDES Bayer CropScience AG (DE) 2004-11-17 EP disclosed
WO-2003066607-A1 NOVEL TETRAZOLE DERIVATIVE USEFUL AS HERBICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-08-14 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 (2 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 GAA 2641/4885MAPK1 2176/4885ALDH1A1 1178/4885
US-20050090398-A1 Novel tetrazole derivative useful as herbicides DDT, TTI1, CYP1A1 GAA 2538/4885MAPK1 2914/4885ALDH1A1 533/4885

“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.