SCHEMBL6324889

SCHEMBL6324889

O=C(O)c1ccc(Cl)c(Cn2nnn(C3CC3)c2=O)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.35
RORC P51449 8/20 0.33
SLC22A12 Q96S37 6/20 0.33
HCAR3 P49019 1/20 0.32
TSHR P16473 1/20 0.31
CYP3A5 P20815 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
SCHEMBL6333430 0.91 RORC (0.32) RORCSLC22A12
SCHEMBL6328685 0.86 BUB1 (0.39) BUB1RORC
SCHEMBL6326509 0.85 ALDH1A1 (0.33) SLC22A12
SCHEMBL6326630 0.80 RAB9A (0.32)
SCHEMBL6333601 0.80 RORC (0.32) RORCSLC22A12
SCHEMBL6331565 0.80 BUB1 (0.31) BUB1
SCHEMBL6328700 0.77 KDM4E (0.30)
SCHEMBL5183519 0.71 ALDH1A1 (0.53) TSHR
SCHEMBL6494834 0.70 P2RX7 (0.42) BUB1RORCSLC22A12TSHR
SCHEMBL28550946 0.68 RORC (0.38) BUB1RORCSLC22A12

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 BUB1 1269/4885RORC 2462/4885SLC22A12 2141/4885
US-20040242895-A1 Novel tetrazolinone derivatives CBR3, CBR1, CYP1B1 BUB1 1260/4885RORC 2459/4885SLC22A12 2137/4885

“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.