SCHEMBL6152057

SCHEMBL6152057

Cc1ccnc(NC2CC(C)(c3ccc(Br)cc3)OC2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
LMNA P02545 1/20 0.37
SORT1 Q99523 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
PDE10A Q9Y233 1/20 0.32
PKM P14618 1/20 0.32
FDPS P14324 1/20 0.32
MAP3K12 Q12852 1/20 0.31

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
SCHEMBL6152046 0.87 ALDH1A1 (0.44) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL6152448 0.87 ALDH1A1 (0.44) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL6152445 0.87 ALDH1A1 (0.40) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL6152501 0.85 ALDH1A1 (0.47) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL6153174 0.84 KDM4E (0.47) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL6152911 0.84 ALDH1A1 (0.40) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL6152267 0.83 NPC1 (0.47) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL6153035 0.82 ALDH1A1 (0.39) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL6152033 0.81 ALDH1A1 (0.40) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL6152041 0.78 GAA (0.40) MEN1KMT2AALDH1A1L3MBTL1KDM4E

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6943181-B2 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2005-09-13 US claimed
EP-1406610-B1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS GRUENENTHAL GMBH (DE) 2005-01-26 EP claimed
US-20040176394-A1 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2004-09-09 US claimed
EP-1406610-A1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2004-04-14 EP claimed
WO-2003004016-A1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2003-01-16 WO claimed
US-6943181-B2 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2005-09-13 US disclosed
EP-1406610-B1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS GRUENENTHAL GMBH (DE) 2005-01-26 EP disclosed
US-20040176394-A1 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2004-09-09 US disclosed
EP-1406610-A1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2004-04-14 EP disclosed
WO-2003004016-A1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2003-01-16 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-20040176394-A1 Use of substituted gamma-lactone compounds as pharmaceutical preparations BACE1, MYC, APP MEN1 26/4885KMT2A 4167/4885ALDH1A1 4494/4885

“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.