SCHEMBL30407572

SCHEMBL30407572

[2H]C1([2H])Oc2ccc(C[C@H](CC)OS(=O)(=O)c3ccc(C)cc3)cc2O1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 3/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 4/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HTT P42858 2/20 0.39
USP2 O75604 2/20 0.38
ALDH1A1 P00352 3/20 0.36
PKM P14618 2/20 0.36
ESR1 P03372 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 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
SCHEMBL25193264 0.91 SMN1; SMN2 (0.49) SMN1; SMN2MAPTTP53LMNAMEN1
SCHEMBL25515343 0.91 SMN1; SMN2 (0.49) SMN1; SMN2MAPTTP53LMNAMEN1
SCHEMBL25193261 0.91 SMN1; SMN2 (0.49) SMN1; SMN2MAPTTP53LMNAMEN1
SCHEMBL25188735 0.86 SMN1; SMN2 (0.44) SMN1; SMN2MAPTTP53LMNAMEN1
SCHEMBL25202190 0.86 SMN1; SMN2 (0.44) SMN1; SMN2MAPTTP53LMNAMEN1
SCHEMBL25516141 0.80 CNR2 (0.36) SMN1; SMN2MAPTTP53LMNAMEN1
SCHEMBL25516127 0.80 CNR2 (0.36) SMN1; SMN2MAPTTP53LMNAMEN1
SCHEMBL25516130 0.80 CNR2 (0.36) SMN1; SMN2MAPTTP53LMNAMEN1
SCHEMBL25184598 0.77 SMN1; SMN2 (0.51) SMN1; SMN2MAPTTP53MEN1KMT2A
SCHEMBL25265105 0.77 SMN1; SMN2 (0.51) SMN1; SMN2MAPTTP53MEN1KMT2A

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-20250034105-A1 ISOTOPICALLY ENRICHED N-METHYL-1,3-BENZODIOXOLYLBUTANAMINE (MBDB) AND STEREOISOMERS THEREOF TERRAN BIOSCIENCES INC (US) 2025-01-30 US disclosed
WO-2023081899-A1 ISOTOPICALLY ENRICHED N-METHYL-1,3-BENZODIOXOLYLBUTANAMINE (MBDB) AND STEREOISOMERS THEREOF TERRAN BIOSCIENCES, INC. (US) 2023-05-11 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-20250034105-A1 ISOTOPICALLY ENRICHED N-METHYL-1,3-BENZODIOXOLYLBUTANAMINE (MBDB) AND STEREOISOMERS THEREOF DBH, PNMT, MBTD1 SMN1; SMN2 54/4885MAPT 863/4885TP53 4807/4885

“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.