SCHEMBL6328864

SCHEMBL6328864

CCn1nnn(Cc2cc(Br)ccc2C(=O)Oc2ccnn2C)c1=O

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
MAPT P10636 3/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4C Q9H3R0 2/20 0.32
KDM5A P29375 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
DPP4 P27487 1/20 0.30
KMT2A Q03164 2/20 0.30
ALDH1A1 P00352 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL6860107 0.92 KDM4C (0.34) MAPTTP53POLBSMN1; SMN2KDM4C
SCHEMBL6327440 0.89 KDM4C (0.33) LMNAMAPTTP53KDM4CKDM5A
SCHEMBL6326739 0.79 KMT2A (0.37) KDM4CKDM5AKDM5BKMT2AMEN1
SCHEMBL6326586 0.79 KDM4E (0.32) KMT2AKDM4EMEN1GAATSHR
SCHEMBL6326294 0.71 DPP4 (0.34) MAPTDPP4KDM4E
SCHEMBL6829938 0.69 RORC (0.30)
SCHEMBL6332857 0.69 DPP4 (0.30) DPP4
SCHEMBL7494580 0.67 CMA1 (0.30) KDM4EHSD17B10
SCHEMBL6328485 0.67 KDM4C (0.33) MAPTTP53POLBSMN1; SMN2KDM4C
SCHEMBL6327267 0.67 SMN1; SMN2 (0.33) LMNAMAPTSMN1; SMN2KDM4CKDM5A

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 6 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-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 LMNA 3030/4885MAPT 4318/4885TP53 4116/4885
US-20040242895-A1 Novel tetrazolinone derivatives CBR3, CBR1, CYP1B1 LMNA 3023/4885MAPT 4327/4885TP53 4106/4885

“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.