SCHEMBL2363448

SCHEMBL2363448

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 6/20 0.38
CACNA1H O95180 6/20 0.38
CACNA1I Q9P0X4 4/20 0.38
PKM P14618 2/20 0.35
NPC1 O15118 1/20 0.35
CNR2 P34972 1/20 0.34
JMJD6 Q6NYC1 1/20 0.33
NOTUM Q6P988 2/20 0.33
SSTR4 P31391 1/20 0.32
ADORA2A P29274 1/20 0.32
NR3C1 P04150 1/20 0.31
MEN1 O00255 1/20 0.31
PRNP P04156 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL2363049 0.86 CACNA1G (0.39) CACNA1GCACNA1HCACNA1IPKMCNR2
SCHEMBL2363725 0.84 PKM (0.36) CACNA1GCACNA1HCACNA1IPKMNPC1
SCHEMBL2362722 0.83 PKM (0.35) CACNA1GCACNA1HCACNA1IPKMNPC1
SCHEMBL2363004 0.83 NR3C1 (0.38) CACNA1GCACNA1HCACNA1IPKMNPC1
SCHEMBL22257043 0.79 MEN1 (0.36) CNR2MEN1PRNPPOLBKMT2A
SCHEMBL2362507 0.75 L3MBTL1 (0.35) MEN1PRNPPOLBKMT2ARXFP1
SCHEMBL2363051 0.75 CACNA1G (0.38) CACNA1GCACNA1HCACNA1IPKMCNR2
SCHEMBL2363387 0.72 PKM (0.38) CACNA1GCACNA1HCACNA1IPKMCNR2
SCHEMBL25759724 0.72 SMN1; SMN2 (0.50) NPC1MEN1PRNPPOLBKMT2A
SCHEMBL2363444 0.71 PKM (0.37) CACNA1GCACNA1HCACNA1IPKMCNR2

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 11 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-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

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 CACNA1G 1754/4885CACNA1H 2410/4885CACNA1I 1784/4885
US-20150099766-A1 Novel halogen-substituted compounds L3MBTL4, PRDX4, PRDX1 CACNA1G 1919/4885CACNA1H 2618/4885CACNA1I 2026/4885

“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.