SCHEMBL21133788

SCHEMBL21133788

O=C(C(=O)N1CCNCC1)c1c[nH]c2ccc(C(=O)N3CCCC(Cc4ccccc4)C3)cc12

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.49
GABRG2 P18507 7/20 0.49
GABRB3 P28472 7/20 0.49
GABRA3 P34903 7/20 0.49
GABRA2 P47869 7/20 0.49
GABRB2 P47870 7/20 0.49
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TACR1 P25103 1/20 0.44
TACR3 P29371 1/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL20883164 0.92 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL5201772 0.90 MEN1 (0.57) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL14571605 0.81 MEN1 (0.58) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL5202501 0.80 MEN1 (0.58) MEN1KMT2A
SCHEMBL5203675 0.80 MEN1 (0.63) MEN1KMT2A
SCHEMBL8707626 0.78 TACR1 (0.61) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL1063370 0.77 MEN1 (0.66) MEN1KMT2ACYP2C9CYP2C19
SCHEMBL1063365 0.77 MEN1 (0.66) MEN1KMT2A
SCHEMBL20883160 0.77 MEN1 (0.63) MEN1KMT2A
SCHEMBL5201937 0.77 MEN1 (0.61) MEN1KMT2A

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-11291659-B2 P38 kinase inhibitors reduce DUX4 and downstream gene expression for the treatment of FSHD Fulcrum Therapeutics, Inc. (US) 2022-04-05 US disclosed
US-20200383963-A1 P38 KINASE INHIBITORS REDUCE DUX4 AND DOWNSTREAM GENE EXPRESSION FOR THE TREATMENT OF FSHD Fulcrum Therapeutics, Inc. 2020-12-10 US disclosed
US-10342786-B2 P38 kinase inhibitors reduce DUX4 and downstream gene expression for the treatment of FSHD Fulcrum Therapeutics, Inc. (US) 2019-07-09 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 (3 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-20200383963-A1 P38 KINASE INHIBITORS REDUCE DUX4 AND DOWNSTREAM GENE EXPRESSION FOR THE TREATMENT OF FSHD ZFX, TBL1XR1, RHOXF2 GABRA1 4059/4885GABRG2 3518/4885GABRB3 3339/4885
US-10342786-B2 P38 kinase inhibitors reduce DUX4 and downstream gene expression for the treatment of FSHD ZFX, TBL1XR1, TRIM28 GABRA1 4140/4885GABRG2 3526/4885GABRB3 3558/4885
US-11291659-B2 P38 kinase inhibitors reduce DUX4 and downstream gene expression for the treatment of FSHD ZFX, TBL1XR1, TRIM28 GABRA1 4140/4885GABRG2 3526/4885GABRB3 3558/4885

“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.