SCHEMBL19828045

SCHEMBL19828045

CC(C)(C)OC(=O)NC1COCc2c(Br)cccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
KDM1A O60341 2/20 0.40
MAOB P27338 1/20 0.40
EPHX2 P34913 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
UCHL1 P09936 1/20 0.35
DRD2 P14416 4/20 0.34
DRD3 P35462 1/20 0.33
BTK Q06187 1/20 0.33

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
SCHEMBL19828043 0.85 GAA (0.46) GAAKDM1AMAOBEPHX2KMT2A
SCHEMBL1868501 0.82 UCHL1 (0.41) GAAKDM1AMAOBEPHX2KMT2A
SCHEMBL29771950 0.82 UCHL1 (0.41) GAAKDM1AMAOBEPHX2KMT2A
SCHEMBL1868500 0.82 UCHL1 (0.41) GAAKDM1AMAOBEPHX2KMT2A
SCHEMBL1873295 0.82 UCHL1 (0.41) GAAKDM1AMAOBEPHX2KMT2A
SCHEMBL19828044 0.82 GAA (0.43) GAAKDM1AMAOBEPHX2KMT2A
SCHEMBL17802142 0.82 GAA (0.45) GAAKDM1AMAOBEPHX2KMT2A
SCHEMBL31498799 0.81 GAA (0.44) GAAKDM1AMAOBEPHX2KMT2A
SCHEMBL13974108 0.81 TAS1R3 (0.43) KMT2AUCHL1
SCHEMBL29771900 0.81 TAS1R3 (0.43) KMT2AUCHL1

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-20180028492-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF PGI DRUG DISCOVERY LLC 2018-02-01 US disclosed
WO-2018023070-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF SUNOVION PHARMACEUTICALS, INC. (US) 2018-02-01 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-20180028492-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF ACHE, CHAT, MAOB GAA 88/4885KDM1A 4074/4885MAOB 3/4885

“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.