SCHEMBL6328465

SCHEMBL6328465

Cn1nnn(Cc2cc(Cl)ccc2C(=O)c2cnoc2C2CC2)c1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.34
PTGER1 P34995 2/20 0.33
DPP4 P27487 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
SLC6A9 P48067 1/20 0.31
PDE2A O00408 1/20 0.31
CCR1 P32246 1/20 0.31
CCR2 P41597 1/20 0.31
DHODH Q02127 2/20 0.30
NPC1 O15118 2/20 0.30
RAB9A P51151 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6325410 0.85 RORC (0.34) PDE2A
SCHEMBL6859766 0.82
SCHEMBL6325696 0.81
SCHEMBL7573639 0.78 PTGDR2 (0.35) ENPP2PTGDR2KDM4CSLC6A9PDE2A
SCHEMBL7573670 0.77 SLC6A9 (0.35) PTGDR2KDM4CSLC6A9PDE2ADHODH
SCHEMBL7575311 0.77 DHODH (0.33) ENPP2PTGDR2KDM4CSLC6A9PDE2A
SCHEMBL27298676 0.77 DHODH (0.34) PTGDR2KDM4CSLC6A9PDE2ADHODH
SCHEMBL6332719 0.77 CRACR2A (0.35) PDE2ADHODHNPC1RAB9A
SCHEMBL6328223 0.76 DHODH (0.33) DHODH
SCHEMBL6324170 0.75 PDE2A (0.31) PDE2ADHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1229358-C Novel tetrazolinone derivatives BAYER AGROCHEM KK (JP) 2005-11-30 CN disclosed
US-6936570-B2 Tetrazolinone derivatives NIHON BAYER AGROCHEM, K.K. (JP) 2005-08-30 US disclosed
US-20040242895-A1 Novel tetrazolinone derivatives YANAGI AKIHIKO (JP) 2004-12-02 US disclosed
US-6790810-B2 Tetrazolinone derivatives NIHON BAYER AGROCHEM K.K. (JP) 2004-09-14 US disclosed
US-6624121-B1 Exemplified by 2-cyano-3-cyclopropyl-1-(3-((4-cyclopropyl-4,5-dihydro-5-oxo-1H-tetrazol-1 -yl)methyl)-2, 4-dichlorophenyl)propan-1,3-dione NIHON BAYER AGROCHEM K.K. (JP) 2003-09-23 US disclosed
CN-1370153-A Herbicidal tetrazolinone derivatives BAYER AGROCHEM KK (JP) 2002-09-18 CN disclosed
EP-1208090-A1 HERBICIDALTETRAZOLINONE DERIVATIVES NIHON BAYER AGROCHEM K.K. (JP) 2002-05-29 EP disclosed
WO-2001010850-A1 HERBICIDAL TETRAZOLINONE DERIVATIVES NIHON BAYER AGROCHEM K.K. (DE) 2001-02-15 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 (1 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-20040242895-A1 Novel tetrazolinone derivatives CBR3, CBR1, CYP1B1 ENPP2 4242/4885PTGDR2 3900/4885PTGER1 3342/4885

“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.