SCHEMBL2353992

SCHEMBL2353992

CCOC(=O)c1cnc(C(F)(F)C(F)(F)F)nc1C(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
JUN P05412 6/20 0.46
NFKB1 P19838 6/20 0.46
NFKB2 Q00653 6/20 0.46
RELA Q04206 6/20 0.46
FOS P01100 5/20 0.46
HSP90AA1 P07900 1/20 0.40
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2356963 0.84 KDM4E (0.52) KDM4EJUNNFKB1NFKB2RELA
SCHEMBL2354777 0.83 KDM4E (0.58) KDM4EJUNNFKB1NFKB2RELA
SCHEMBL2354109 0.82 KDM4E (0.67) KDM4EJUNNFKB1NFKB2RELA
SCHEMBL16433573 0.81 KDM4E (0.48) KDM4EJUNNFKB1NFKB2RELA
SCHEMBL12142854 0.79 JUN (0.56) KDM4EJUNNFKB1NFKB2RELA
SCHEMBL12795936 0.76 MEN1 (0.57) KDM4EJUNNFKB1NFKB2RELA
SCHEMBL12795952 0.75 ALDH1A1 (0.55) KDM4EHSP90AA1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2352548 0.74 KDM4E (0.64) KDM4EJUNNFKB1NFKB2RELA
SCHEMBL423492 0.72 JUN (0.60) KDM4EJUNNFKB1NFKB2RELA
SCHEMBL20337653 0.72 TSHR (0.42) KDM4EHSP90AA1ALDH1A1SMN1; SMN2L3MBTL1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2352723-B1 PESTICIDAL N-ARYL- OR N-HETEROARYL PYRAZOLE CARBOXAMIDE COMPOUNDS BAYER IP GMBH (DE) 2016-11-23 EP disclosed
US-20150099766-A1 Novel halogen-substituted compounds BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-09 US disclosed
US-8946234-B2 Halogen-substituted compounds BAYER CROPSCIENCE AG (DE) 2015-02-03 US disclosed
US-20110301181-A1 halogen-substituted compounds BAYER CROPSCIENCE AG (DE) 2011-12-08 US disclosed
EP-2352723-A2 HALOGEN-SUBSTITUTED COMPOUNDS USED AS PESTICIDES Bayer CropScience AG (DE) 2011-08-10 EP disclosed
WO-2010051926-A2 NEW HALOGEN-SUBSTITUTED BONDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-05-14 WO disclosed
WO-2010051926-A2 NEW HALOGEN-SUBSTITUTED BONDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-05-14 WO disclosed
EP-2184273-A1 Halogen substituted compounds as pesticides Bayer CropScience AG (DE) 2010-05-12 EP disclosed
EP-2184273-A1 Halogen substituted compounds as pesticides Bayer CropScience AG (DE) 2010-05-12 EP 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-20110301181-A1 halogen-substituted compounds L3MBTL4, QSOX1, L3MBTL3 KDM4E 2403/4885JUN 3671/4885NFKB1 2430/4885
US-20150099766-A1 Novel halogen-substituted compounds L3MBTL4, PRDX4, PRDX1 KDM4E 1987/4885JUN 3487/4885NFKB1 2563/4885

“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.