SCHEMBL25865292

SCHEMBL25865292

O=C1C(=O)N(CC(F)(F)F)c2cc(Br)ccc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.47
ALDH1A1 P00352 3/20 0.44
ALDH3A1 P30838 3/20 0.44
ALDH2 P05091 2/20 0.44
CUL4A Q13619 1/20 0.44
CES1 P23141 4/20 0.43
CHRM5 P08912 6/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
PARK7 Q99497 1/20 0.39
S100A4 P26447 1/20 0.39
BCHE P06276 2/20 0.38
TGM2 P21980 1/20 0.38

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
SCHEMBL28026697 0.79 PARK7 (0.53) ACHEALDH1A1ALDH3A1ALDH2CUL4A
SCHEMBL7233659 0.77 CES1 (0.65) ACHEALDH1A1ALDH3A1ALDH2CES1
SCHEMBL28417115 0.74 ALDH1A1 (0.57) ACHEALDH1A1ALDH3A1ALDH2CUL4A
SCHEMBL15206958 0.74 ALDH1A1 (0.78) ACHEALDH1A1ALDH3A1ALDH2CES1
SCHEMBL16075218 0.73 ALDH1A1 (0.47) ACHEALDH1A1ALDH3A1ALDH2CUL4A
SCHEMBL16064931 0.73 ALDH1A1 (0.47) ACHEALDH1A1ALDH3A1ALDH2CUL4A
SCHEMBL16064397 0.73 ALDH1A1 (0.47) ACHEALDH1A1ALDH3A1ALDH2CUL4A
SCHEMBL28026703 0.73 ACHE (0.67) ACHEALDH1A1ALDH3A1ALDH2CES1
SCHEMBL26621713 0.72 PARK7 (0.45) ACHEALDH1A1ALDH3A1ALDH2CHRM5
SCHEMBL28417285 0.72 CES1 (0.65) ACHEALDH1A1ALDH3A1ALDH2CUL4A

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-20230219938-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PREC MEDICINES INC (US) 2023-07-13 US disclosed
US-20230219938-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PREC MEDICINES INC (US) 2023-07-13 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-20230219938-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B ACHE 693/4885ALDH1A1 916/4885ALDH3A1 690/4885

“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.