SCHEMBL31452086

SCHEMBL31452086

O=NN(CCOC(F)(F)F)C(=O)NC1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.63
PDE4A P27815 1/20 0.63
ADRA1A P35348 1/20 0.63
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 2/20 0.49
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
EPHX1 P07099 9/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX2 P34913 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL31452091 0.87 ALDH1A1 (0.64) ADRA2APDE4AADRA1ASMN1; SMN2ALDH1A1
SCHEMBL3342754 0.80 ADRA2A (0.74) ADRA2APDE4AADRA1ASMN1; SMN2ALDH1A1
Lomustine SCHEMBL868328 0.78 ADRA2A (1.00) ADRA2APDE4AADRA1ASMN1; SMN2ALDH1A1
Lomustine SCHEMBL3995 0.78 ADRA2A (1.00) ADRA2APDE4AADRA1ASMN1; SMN2ALDH1A1
SCHEMBL25860573 0.77 ADRA2A (0.74) ADRA2APDE4AADRA1ASMN1; SMN2ALDH1A1
SCHEMBL25860152 0.77 ADRA2A (0.74) ADRA2APDE4AADRA1ASMN1; SMN2ALDH1A1
Lomustine SCHEMBL28262197 0.76 ADRA2A (0.94) ADRA2APDE4AADRA1ASMN1; SMN2ALDH1A1
Lomustine SCHEMBL28159683 0.74 ADRA2A (0.91) ADRA2APDE4AADRA1ASMN1; SMN2ALDH1A1
Lomustine SCHEMBL28123007 0.74 ADRA2A (0.91) ADRA2APDE4AADRA1ASMN1; SMN2ALDH1A1
SCHEMBL31452061 0.74 MEN1 (0.47) ALDH1A1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066371-A1 FLUOROALKOXYALKYLENE-DIHYDROIMIDAZO[5,1-D]TETRAZINONE COMPOUNDS AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS MODIFI BIOSCIENCES, INC. 2025-02-27 US disclosed
WO-2025034537-A1 FLUOROALKOXYALKYLENE-DIHYDROIMIDAZO[5,1-D]TETRAZINONE COMPOUNDS AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS MODIFI BIOSCIENCES, INC. (US) 2025-02-13 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 (1 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-20250066371-A1 FLUOROALKOXYALKYLENE-DIHYDROIMIDAZO[5,1-D]TETRAZINONE COMPOUNDS AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS PKD1, APC, VHL ADRA2A 1117/4885PDE4A 1827/4885ADRA1A 710/4885

“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.