SCHEMBL14059228

SCHEMBL14059228

COC(=O)C1=C(C)c2cc(Br)ccc2CCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 12/20 0.40
SLC6A2 P23975 5/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATM Q13315 1/20 0.38
NPC1 O15118 2/20 0.37
POLB P06746 2/20 0.37
RAB9A P51151 2/20 0.37
PARP1 P09874 1/20 0.37
PARP10 Q53GL7 1/20 0.37
HSD17B3 P37058 1/20 0.36

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
SCHEMBL14960673 0.86 SLC6A3 (0.40) SLC6A3SLC6A2TDP1L3MBTL1ATM
SCHEMBL14059227 0.84 TDP1 (0.43) TDP1L3MBTL1ATMNPC1POLB
SCHEMBL14059627 0.83 GAA (0.41) SLC6A3SLC6A2ATMNPC1POLB
SCHEMBL14059362 0.76 TDP1 (0.35) SLC6A3SLC6A2TDP1L3MBTL1HSD17B3
SCHEMBL14059420 0.76 RAB9A (0.39) NPC1RAB9A
SCHEMBL12797321 0.75 ACHE (0.41) SLC6A3L3MBTL1ATMNPC1RAB9A
SCHEMBL29292695 0.73 HSD17B3 (0.54) SLC6A3SLC6A2L3MBTL1ATMNPC1
SCHEMBL12797306 0.73 ATM (0.39) TDP1L3MBTL1ATM
SCHEMBL21557572 0.72 NR4A2 (0.38) SLC6A3L3MBTL1HSD17B3
SCHEMBL14059233 0.72 SMN1; SMN2 (0.52) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604024-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-10 US disclosed
US-20130131051-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2013-05-23 US disclosed
US-20130131051-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2013-05-23 US disclosed
WO-2012162330-A1 TRICYCLIC COMPOUNDS AS INHIBITORS FOR THE PRODUCTION OF BETA-AMYLOID BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-29 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-20130131051-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, SCN2B SLC6A3 1973/4885SLC6A2 352/4885TDP1 3953/4885

“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.