SCHEMBL2356963

SCHEMBL2356963

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
FOS P01100 4/20 0.49
JUN P05412 4/20 0.49
NFKB1 P19838 4/20 0.49
NFKB2 Q00653 4/20 0.49
RELA Q04206 4/20 0.49
RAB9A P51151 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 3/20 0.47
MAPT P10636 3/20 0.47
HSP90AA1 P07900 1/20 0.44
TSHR P16473 1/20 0.43
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL423492 0.88 JUN (0.60) KDM4EFOSJUNNFKB1NFKB2
SCHEMBL2354777 0.87 KDM4E (0.58) KDM4EFOSJUNNFKB1NFKB2
SCHEMBL2354109 0.86 KDM4E (0.67) KDM4EFOSJUNNFKB1NFKB2
SCHEMBL2353992 0.84 KDM4E (0.48) KDM4EFOSJUNNFKB1NFKB2
SCHEMBL2356782 0.80 HPGD (0.50) KDM4EJUNNFKB1NFKB2RELA
SCHEMBL4752354 0.80 RAB9A (0.48) KDM4EFOSJUNNFKB1NFKB2
SCHEMBL2352548 0.79 KDM4E (0.64) KDM4EFOSJUNNFKB1NFKB2
SCHEMBL2350891 0.77 KDM4E (0.54) KDM4ERAB9ANPSR1NPC1MAPT
SCHEMBL30996914 0.77 RAB9A (0.56) KDM4EFOSJUNNFKB1NFKB2
SCHEMBL1669574 0.77 RAB9A (0.56) KDM4EFOSJUNNFKB1NFKB2

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 7 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
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 2403/4885FOS 2206/4885JUN 3671/4885
US-20150099766-A1 Novel halogen-substituted compounds L3MBTL4, PRDX4, PRDX1 KDM4E 1987/4885FOS 1754/4885JUN 3487/4885

“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.