SCHEMBL22137697

SCHEMBL22137697

COc1ccnc(N2CCC(c3ccc(OCCN4[C@H](C)CN(C(C)=O)C[C@@H]4C)cc3)CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.67
AR P10275 2/20 0.45
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 2/20 0.44
DRD3 P35462 2/20 0.42
CCL2 P13500 1/20 0.41
TAF1 P21675 1/20 0.41
BRD2 P25440 1/20 0.41
BRD3 Q15059 1/20 0.41
BRDT Q58F21 1/20 0.41
TAF1L Q8IZX4 1/20 0.41
CREBBP Q92793 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
MAP3K12 Q12852 1/20 0.40
MCHR1 Q99705 1/20 0.40
CSF1R P07333 1/20 0.39
LCAT P04180 1/20 0.39

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
SCHEMBL22137692 0.85 BRD4 (0.63) BRD4ARKCNH2DRD3CCL2
SCHEMBL29455917 0.81 BRD4 (0.65) BRD4ARKCNH2CCL2TAF1
SCHEMBL17477298 0.80 BRD4 (1.00) BRD4ARKCNH2CCL2TAF1
SCHEMBL19988067 0.80 BRD4 (1.00) BRD4ARKCNH2CCL2TAF1
SCHEMBL19137924 0.80 BRD4 (1.00) BRD4ARKCNH2CCL2TAF1
SCHEMBL24927710 0.79 BRD4 (0.67) BRD4ARKCNH2CCL2TAF1
SCHEMBL17477293 0.77 BRD4 (0.56) BRD4ARKCNH2HRH3DRD3
SCHEMBL19988066 0.77 BRD4 (0.56) BRD4ARKCNH2HRH3DRD3
SCHEMBL17477292 0.76 BRD4 (0.92) BRD4ARKCNH2CCL2TAF1
SCHEMBL19137923 0.76 BRD4 (0.92) BRD4ARKCNH2CCL2TAF1

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 3 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
WO-2020132004-A1 BET INHIBITORS FOR MODULATING DUX4 EXPRESSION IN FSHD SAINT LOUIS UNIVERSITY (US) 2020-06-25 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 (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 BRD4 4/4885AR 151/4885KCNH2 4700/4885
US-12636290-B2 BET inhibitors for modulating DUX4 expression in FSHD BRDT, BET1, PHKB BRD4 6/4885AR 58/4885KCNH2 4011/4885

“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.