SCHEMBL6326586

SCHEMBL6326586

CCn1nnn(-c2ccc(C(=O)Oc3ccnn3C)c(Br)c2)c1=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
BRD9 Q9H8M2 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
SCHEMBL6327267 0.79 SMN1; SMN2 (0.33) MEN1KMT2ANPSR1BRD9
SCHEMBL6328864 0.79 LMNA (0.33) KDM4EMEN1GAATSHRKMT2A
SCHEMBL6331053 0.75 KMT2A (0.36) KDM4EMEN1KMT2A
SCHEMBL6860107 0.72 KDM4C (0.34) HSD17B10
SCHEMBL6324071 0.71 ALDH1A1 (0.34) KMT2ANPSR1
SCHEMBL6328485 0.71 KDM4C (0.33) MEN1KMT2A
SCHEMBL6327440 0.70 KDM4C (0.33)
SCHEMBL6325427 0.69 MAPT (0.32) TSHRKMT2A
SCHEMBL6333530 0.69 MEN1 (0.32) MEN1KMT2ANPSR1
SCHEMBL6326739 0.68 KMT2A (0.37) MEN1KMT2A

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 KDM4E 2235/4885MEN1 3543/4885GAA 2804/4885
US-20040242895-A1 Novel tetrazolinone derivatives CBR3, CBR1, CYP1B1 KDM4E 2355/4885MEN1 3552/4885GAA 2740/4885

“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.