SCHEMBL31452091

SCHEMBL31452091

CC1CCC(NC(=O)N(CCOC(F)(F)F)N=O)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
ADRA2A P08913 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
PDE4A P27815 1/20 0.47
ADRA1A P35348 1/20 0.47
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
EPHX1 P07099 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
GAA P10253 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
ATM Q13315 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
LMNA P02545 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
SCHEMBL31452086 0.87 ADRA2A (0.63) ALDH1A1ADRA2ASMN1; SMN2PDE4AADRA1A
SCHEMBL25859799 0.81 ALDH1A1 (0.74) ALDH1A1ADRA2ASMN1; SMN2PDE4AADRA1A
SCHEMBL25860618 0.78 ALDH1A1 (0.74) ALDH1A1ADRA2ASMN1; SMN2PDE4AADRA1A
Semustine SCHEMBL4959160 0.78 ALDH1A1 (1.00) ALDH1A1ADRA2ASMN1; SMN2PDE4AADRA1A
Semustine SCHEMBL4500 0.78 ALDH1A1 (1.00) ALDH1A1ADRA2ASMN1; SMN2PDE4AADRA1A
Semustine SCHEMBL28854924 0.77 ALDH1A1 (0.97) ALDH1A1ADRA2ASMN1; SMN2PDE4AADRA1A
Semustine SCHEMBL2350016 0.75 ALDH1A1 (0.92) ALDH1A1ADRA2ASMN1; SMN2PDE4AADRA1A
SCHEMBL31452061 0.72 MEN1 (0.47) ALDH1A1
Semustine SCHEMBL8980108 0.69 ALDH1A1 (0.79) ALDH1A1ADRA2ASMN1; SMN2PDE4AADRA1A
SCHEMBL31452005 0.68

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 1 patent. 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

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 ALDH1A1 50/4885ADRA2A 1117/4885SMN1; SMN2 3326/4885

“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.