SCHEMBL6333530

SCHEMBL6333530

CCn1nccc1OC(=O)c1ccc(Cl)c(-n2nnn(C)c2=O)c1Cl

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RAB9A P51151 1/20 0.32
HTT P42858 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM5A P29375 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
KDM5B Q9UGL1 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
SCHEMBL6408428 0.89
SCHEMBL6326674 0.88 MEN1 (0.30) MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL6858814 0.86
SCHEMBL6327267 0.84 SMN1; SMN2 (0.33) MEN1KMT2ASMN1; SMN2RAB9AHTT
SCHEMBL6333418 0.82
SCHEMBL6328485 0.80 KDM4C (0.33) MEN1KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL6326638 0.79 ABL1 (0.35) MEN1KMT2ASMN1; SMN2RAB9AHTT
SCHEMBL6334580 0.77 KDM5A (0.34) SMN1; SMN2RAB9AHTTPDE4APDE4B
SCHEMBL6324670 0.76
SCHEMBL6323482 0.76 TSHR (0.38) SMN1; SMN2L3MBTL1ALDH1A1

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 MEN1 3543/4885KMT2A 2267/4885SMN1; SMN2 4200/4885
US-20040242895-A1 Novel tetrazolinone derivatives CBR3, CBR1, CYP1B1 MEN1 3552/4885KMT2A 2263/4885SMN1; SMN2 4203/4885

“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.