SCHEMBL2363725

SCHEMBL2363725

COC(=O)c1c(F)c(OCC(F)(F)F)nn1C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.36
NPC1 O15118 1/20 0.36
CNR2 P34972 3/20 0.35
JMJD6 Q6NYC1 1/20 0.33
CACNA1G O43497 5/20 0.32
CACNA1H O95180 5/20 0.32
CACNA1I Q9P0X4 5/20 0.32
NR3C1 P04150 1/20 0.32
SCN9A Q15858 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
GAA P10253 1/20 0.31
GRM4 Q14833 1/20 0.31
KCNH2 Q12809 1/20 0.31
SCN5A Q14524 1/20 0.31
MAP3K7 O43318 1/20 0.30
TAB1 Q15750 1/20 0.30
SOS1 Q07889 1/20 0.30

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
SCHEMBL2363387 0.85 PKM (0.38) PKMCNR2JMJD6CACNA1GCACNA1H
SCHEMBL2363004 0.84 NR3C1 (0.38) PKMNPC1CNR2JMJD6CACNA1G
SCHEMBL2363448 0.84 CACNA1G (0.38) PKMNPC1CNR2JMJD6CACNA1G
SCHEMBL2362722 0.84 PKM (0.35) PKMNPC1CNR2JMJD6CACNA1G
SCHEMBL26638932 0.76 NPC1 (0.35) PKMNPC1
SCHEMBL2363389 0.74 PKM (0.36) PKMCNR2JMJD6CACNA1GCACNA1H
SCHEMBL2363444 0.72 PKM (0.37) PKMCNR2JMJD6CACNA1GCACNA1H
SCHEMBL13365020 0.72 PKM (0.37) PKMCNR2JMJD6CACNA1GCACNA1H
SCHEMBL2363049 0.72 CACNA1G (0.39) PKMCNR2JMJD6CACNA1GCACNA1H
SCHEMBL19555815 0.72 KDM4E (0.41) NPC1CNR2CYP1A2GAA

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 14 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
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-20150099766-A1 Novel halogen-substituted compounds BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-09 US 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-8946234-B2 Halogen-substituted compounds BAYER CROPSCIENCE AG (DE) 2015-02-03 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
US-20110301181-A1 halogen-substituted compounds BAYER CROPSCIENCE AG (DE) 2011-12-08 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

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 PKM 2622/4885NPC1 2312/4885CNR2 1681/4885
US-20150099766-A1 Novel halogen-substituted compounds L3MBTL4, PRDX4, PRDX1 PKM 3155/4885NPC1 2168/4885CNR2 1636/4885

“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.