SCHEMBL6323482

SCHEMBL6323482

Cn1nnn(-c2c(Cl)ccc(C(=O)O)c2Cl)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NOTUM Q6P988 3/20 0.35
TP53 P04637 1/20 0.34
CASP1 P29466 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
MYC P01106 2/20 0.34
NR4A1 P22736 1/20 0.34
CTSB P07858 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
CASP6 P55212 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
WEE1 P30291 1/20 0.34
CLCN2 P51788 3/20 0.33
CSNK2A2 P19784 2/20 0.33
CSNK2B P67870 2/20 0.33
CSNK2A1 P68400 2/20 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
SCHEMBL6333380 0.90 ALDH1A1 (0.30) ALDH1A1L3MBTL1NOTUM
SCHEMBL6326638 0.86 ABL1 (0.35) TSHRALDH1A1L3MBTL1NOTUMTP53
SCHEMBL6331254 0.81 HPD (0.32) NOTUMSMN1; SMN2LMNA
SCHEMBL6324908 0.78
SCHEMBL6334979 0.77 MAPT (0.32)
SCHEMBL29148360 0.75 NOTUM (0.38) TSHRALDH1A1L3MBTL1NOTUMTP53
SCHEMBL6324102 0.75 MAPT (0.47) ALDH1A1POLB
SCHEMBL6324056 0.72
SCHEMBL6324050 0.72
SCHEMBL4069345 0.66 DPP4 (0.56) TSHRALDH1A1TP53CASP1SMN1; SMN2

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 TSHR 1322/4885ALDH1A1 225/4885L3MBTL1 1999/4885
US-20040242895-A1 Novel tetrazolinone derivatives CBR3, CBR1, CYP1B1 TSHR 1295/4885ALDH1A1 226/4885L3MBTL1 1934/4885

“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.