SCHEMBL29455752

SCHEMBL29455752

O=C1CCN(CCOc2ccc(Br)cc2)CCN1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.56
PTGS2 P35354 1/20 0.56
TSHR P16473 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CHIT1 Q13231 1/20 0.47
CHIA Q9BZP6 1/20 0.47
KDM4E B2RXH2 3/20 0.46
GLA P06280 1/20 0.46
MAOB P27338 2/20 0.46
KCNA5 P22460 1/20 0.46
RAB9A P51151 2/20 0.45
RECQL P46063 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTR1A P08908 1/20 0.45
HTR7 P34969 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
DRD3 P35462 1/20 0.44
HRH3 Q9Y5N1 2/20 0.44

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
SCHEMBL22117610 0.88 LTA4H (0.54) LTA4HPTGS2TSHRATML3MBTL1
SCHEMBL19025236 0.83 LTA4H (0.65) LTA4HPTGS2TSHRATML3MBTL1
SCHEMBL22117593 0.81 HRH3 (0.55) LTA4HPTGS2TSHRATML3MBTL1
SCHEMBL10857813 0.81 LTA4H (0.67) LTA4HPTGS2TSHRATML3MBTL1
SCHEMBL29455998 0.80 LTA4H (0.58) LTA4HPTGS2TSHRATML3MBTL1
SCHEMBL29455850 0.77 LTA4H (0.57) LTA4HPTGS2TSHRATML3MBTL1
SCHEMBL16825686 0.76 LTA4H (0.68) LTA4HPTGS2TSHRATML3MBTL1
SCHEMBL14287706 0.76 HRH3 (0.76) HRH3
SCHEMBL30984087 0.76 KDM4E (0.44) KDM4ESMN1; SMN2HRH3
SCHEMBL229697 0.76 LTA4H (0.90) LTA4HPTGS2TSHRATML3MBTL1

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-12636290-B2 BET inhibitors for modulating DUX4 expression in FSHD SAINT LOUIS UNIVERSITY (US) 2026-05-26 US disclosed
US-20220079951-A1 BET INHIBITORS FOR MODULATING DUX4 EXPRESSION IN FSHD SAINT LOUIS UNIVERSITY (US) 2022-03-17 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 (2 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-20220079951-A1 BET INHIBITORS FOR MODULATING DUX4 EXPRESSION IN FSHD BRDT, PHKB, BET1 LTA4H 4417/4885PTGS2 4415/4885TSHR 1981/4885
US-12636290-B2 BET inhibitors for modulating DUX4 expression in FSHD BRDT, BET1, PHKB LTA4H 3972/4885PTGS2 4614/4885TSHR 1959/4885

“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.