SCHEMBL31452075

SCHEMBL31452075

O=C(CNC(=O)c1ncn2c(=O)n(CCOC(F)(F)F)nnc12)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 2/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
PABPC1 P11940 1/20 0.34
SCD O00767 1/20 0.33
POLB P06746 2/20 0.33
TSHR P16473 1/20 0.32
PPARG P37231 1/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
HSD11B1 P28845 1/20 0.32
PTGER4 P35408 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
SCHEMBL31452089 0.86 CA12 (0.41) CA12CA1CA2CA9MEN1
SCHEMBL31452066 0.85 ALDH1A1 (0.43) CA12CA1CA2CA9ALDH1A1
SCHEMBL31452053 0.85 CA12 (0.43) CA12CA1CA2CA9MEN1
SCHEMBL31452049 0.82 CA12 (0.44) CA12CA1CA2CA9MEN1
SCHEMBL31452059 0.81 GRM5 (0.38) CA12CA1CA2CA9ALDH1A1
SCHEMBL31451991 0.81 CA12 (0.38) CA12CA1CA2CA9ALDH1A1
SCHEMBL31451983 0.81 KMT2A (0.45) CA12CA1CA2CA9MEN1
SCHEMBL31451960 0.81 HDAC1 (0.38) CA12CA1CA2CA9MEN1
SCHEMBL892105 0.80 CA12 (0.57) CA12CA1CA2CA9ALDH1A1
SCHEMBL891971 0.80 CA12 (0.39) CA12CA1CA2CA9ALDH1A1

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 CA12 1816/4885CA1 4363/4885CA2 3317/4885

“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.