SCHEMBL20615752

SCHEMBL20615752

CC(C)(C)OC(=O)NCCCNC1CCCc2c1[nH]c1ccc(Br)cc21

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD3 Q15059 8/20 0.52
GAA P10253 1/20 0.52
CASP6 P55212 1/20 0.52
CYP2D6 P10635 2/20 0.50
PRMT5 O14744 2/20 0.49
KCNH2 Q12809 1/20 0.48
CDC42 P60953 1/20 0.48
DHODH Q02127 1/20 0.45
ADRA2C P18825 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL22529416 0.97 BRD3 (0.49) BRD3GAACASP6CYP2D6PRMT5
SCHEMBL30787992 0.97 BRD3 (0.49) BRD3GAACASP6CYP2D6PRMT5
SCHEMBL30787999 0.95 BRD3 (0.47) BRD3GAACASP6CYP2D6PRMT5
SCHEMBL30787997 0.95 BRD3 (0.47) BRD3GAACASP6CYP2D6PRMT5
SCHEMBL20615443 0.95 BRD3 (0.55) BRD3GAACASP6CYP2D6PRMT5
SCHEMBL28488714 0.94 BRD3 (0.49) BRD3GAACASP6CYP2D6PRMT5
SCHEMBL28488268 0.90 CYP2D6 (0.47) BRD3GAACASP6CYP2D6PRMT5
SCHEMBL28494320 0.88 CYP2D6 (0.46) BRD3GAACASP6CYP2D6PRMT5
SCHEMBL28494318 0.88 CYP2D6 (0.46) BRD3GAACASP6CYP2D6PRMT5
SCHEMBL20602010 0.86 CYP2D6 (0.59) BRD3GAACASP6CYP2D6PRMT5

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-11458121-B2 Therapeutic compounds and methods to treat infection RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2022-10-04 US disclosed
WO-2019005841-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-01-03 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-11458121-B2 Therapeutic compounds and methods to treat infection ABCB11, SLC10A1, SLC47A1 BRD3 3540/4885GAA 204/4885CASP6 1189/4885

“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.