SCHEMBL14059486

SCHEMBL14059486

CC1=CCCc2ccc(Br)cc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PARP10 Q53GL7 2/20 0.46
PARP1 P09874 1/20 0.46
TYMS P04818 2/20 0.43
S100A4 P26447 1/20 0.41
METAP1 P53582 1/20 0.40
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
PTPRC P08575 1/20 0.37
BCL2 P10415 2/20 0.36
MCL1 Q07820 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
TDP2 O95551 1/20 0.36
PARP11 Q9NR21 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
SCHEMBL9483990 0.86 PARP10 (0.43) TDP1L3MBTL1PARP10PARP1TYMS
Acetic Acid SCHEMBL9127778 0.81 TDP1 (0.41) TDP1L3MBTL1PARP10PARP1TYMS
SCHEMBL358939 0.78 TDP1 (0.81) TDP1L3MBTL1PARP10PARP1TYMS
SCHEMBL14925865 0.76 TDP1 (0.67) TDP1L3MBTL1PARP10PARP1TYMS
SCHEMBL17028711 0.75 PARP10 (0.43) PARP10TYMSS100A4METAP1TDP2
SCHEMBL28569205 0.72 PARP10 (0.43) TDP1L3MBTL1PARP10PARP1TYMS
SCHEMBL22797539 0.72 TDP1 (0.77) TDP1L3MBTL1PARP10PARP1TYMS
SCHEMBL6097069 0.71 PARP10 (0.40) TDP1L3MBTL1PARP10PARP1TYMS
SCHEMBL27710326 0.71 PARP10 (0.44) TDP1L3MBTL1PARP10PARP1TYMS
SCHEMBL14059047 0.70 TDP1 (0.64) TDP1L3MBTL1PARP10PARP1TYMS

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-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
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 TDP1 3953/4885L3MBTL1 1061/4885PARP10 2403/4885

“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.