SCHEMBL6328601

SCHEMBL6328601

CCn1nccc1OC(=O)c1ccc(Cn2nnn(C3CC3)c2=O)cc1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 5/20 0.32
KDM4E B2RXH2 3/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32
GCK P35557 1/20 0.32
HTT P42858 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
VCAM1 P19320 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL6858795 0.87 CYP3A4 (0.34) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL7541012 0.84 ALDH1A1 (0.39) KMT2AALDH1A1KDM4EMAPTGCK
SCHEMBL28940879 0.84 ALDH1A1 (0.30) KMT2AALDH1A1KDM4EPOLB
SCHEMBL7541006 0.83 ALDH1A1 (0.32) KMT2AALDH1A1KDM4EPOLBMAPT
SCHEMBL7214537 0.74 SIGMAR1 (0.43) KMT2AKDM4EPOLBGCK
SCHEMBL5906209 0.73 NR3C1 (0.39) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL7548038 0.73 KDM4C (0.41) KMT2APOLBGCK
SCHEMBL6330868 0.69 GCK (0.32) GCK
SCHEMBL5906192 0.69 HPGD (0.40) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL6325450 0.68 MAPT (0.36) KMT2AMEN1ALDH1A1KDM4EPOLB

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 5 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

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 KMT2A 2267/4885MEN1 3543/4885ALDH1A1 225/4885
US-20040242895-A1 Novel tetrazolinone derivatives CBR3, CBR1, CYP1B1 KMT2A 2263/4885MEN1 3552/4885ALDH1A1 226/4885

“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.