SCHEMBL6326285

SCHEMBL6326285

COC(=O)c1ccc(Cl)c(-n2nn[nH]c2=O)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.36
ALPL P05186 1/20 0.36
NFE2L2 Q16236 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 3/20 0.35
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
ABL1 P00519 1/20 0.35
PTGS2 P35354 1/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL6326638 0.78 ABL1 (0.35) NR4A2NFE2L2SMN1; SMN2KDM4EGLA
SCHEMBL12114356 0.73 MAPK11 (0.37) KDM4EGLAGAAALDH1A1LMNA
SCHEMBL15352371 0.72 NFE2L2 (0.38) NR4A2NFE2L2KDM4EMEN1KMT2A
SCHEMBL7418272 0.69 ABL1 (0.47) NR4A2SMN1; SMN2KDM4EGLAGAA
SCHEMBL27362505 0.69 ABL1 (0.50) NR4A2ALPLSMN1; SMN2KDM4EGLA
SCHEMBL6334602 0.68 KDM4E (0.36) KDM4EGAAALDH1A1L3MBTL1HPGD
SCHEMBL15359555 0.68 ALDH1A1 (0.36) NR4A2NFE2L2KDM4EMAPTALDH1A1
SCHEMBL523584 0.68 ABL1 (0.57) NR4A2SMN1; SMN2KDM4EGLAGAA
SCHEMBL8598961 0.68 MAPK11 (0.39) GAAKMT2ANPC1ALDH1A1RAB9A
SCHEMBL29800289 0.66 PTGS2 (0.48) NR4A2SMN1; SMN2KDM4EGLAGAA

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
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-20040102635-A1 Novel tetrazolinone derivatives YANAGI AKIHIKO (JP) 2004-05-27 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
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 (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-20040102635-A1 Novel tetrazolinone derivatives CBR1, CBR3, CYP1B1 NR4A2 454/4885ALPL 4690/4885NFE2L2 768/4885
US-20040242895-A1 Novel tetrazolinone derivatives CBR3, CBR1, CYP1B1 NR4A2 487/4885ALPL 4688/4885NFE2L2 761/4885

“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.