SCHEMBL6325450

SCHEMBL6325450

Cn1nnn(Cc2ccc(C(=O)OC3=CC(=O)CCC3)c([N+](=O)[O-])c2)c1=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 4/20 0.32
POLB P06746 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL6334596 0.85 HDAC6 (0.35) HPGDMEN1KMT2APOLB
SCHEMBL6332964 0.85 P2RX3 (0.35) MAPTKMT2APOLB
SCHEMBL6323495 0.84 HTT (0.36) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL6328454 0.82 SIRT6 (0.36) MAPTHPGDMEN1KMT2AALDH1A1
SCHEMBL5184069 0.79 ALDH1A1 (0.58) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL6332976 0.78 DPP4 (0.34) MAPTHPGDKMT2A
SCHEMBL18102070 0.78 MAPT (0.37) MAPTHPGDMEN1KMT2AALDH1A1
SCHEMBL12963318 0.77 MAPT (0.38) MAPTHPGDMEN1KMT2AALDH1A1
SCHEMBL5183700 0.76 ALDH1A1 (0.46) HPGDMEN1KMT2AALDH1A1POLB
SCHEMBL12934365 0.76 TSHR (0.41) MAPTHPGDALDH1A1CYP1A2CYP2C19

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 MAPT 4318/4885HPGD 3779/4885MEN1 3543/4885
US-20040242895-A1 Novel tetrazolinone derivatives CBR3, CBR1, CYP1B1 MAPT 4327/4885HPGD 3771/4885MEN1 3552/4885

“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.