SCHEMBL12831753

SCHEMBL12831753

Cc1ccc(CC(=O)CBr)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
GSK3B P49841 1/20 0.52
CTBP2 P56545 1/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
HPGD P15428 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
POLB P06746 1/20 0.42
CYP2C19 P33261 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
SCHEMBL4940818 0.86 L3MBTL1 (0.62) L3MBTL1TDP1CTBP2KMT2AMEN1
SCHEMBL12731519 0.83 L3MBTL1 (0.61) L3MBTL1TDP1GSK3BCTBP2KMT2A
SCHEMBL18371865 0.81 MEN1 (0.64) L3MBTL1TDP1CTBP2KMT2AMEN1
SCHEMBL7148258 0.80 L3MBTL1 (0.56) L3MBTL1TDP1CTBP2KMT2AMEN1
SCHEMBL5042101 0.80 GSK3B (0.50) L3MBTL1GSK3BKMT2AMEN1RAB9A
SCHEMBL6238483 0.80 CA2 (0.58) CTBP2KMT2AMEN1RAB9ANPC1
SCHEMBL10247190 0.79 L3MBTL1 (0.61) L3MBTL1TDP1GSK3BRAB9ANPC1
SCHEMBL559059 0.78 TPMT (0.38) GSK3B
SCHEMBL756910 0.78 PTPN1 (0.52) TDP1CTBP2KMT2ARAB9ASMN1; SMN2
SCHEMBL14149286 0.78 CPA1 (0.38) L3MBTL1TDP1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9144573-B2 Prostaglandin transporter inhibitors ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2015-09-29 US disclosed
US-20130171171-A1 PROSTAGLANDIN TRANSPORTER INHIBITORS ALBERT EINSTEIN COLLEGE OF MEDICINE 2013-07-04 US disclosed
US-20130030001-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2013-01-31 US disclosed
US-8329729-B2 Quinuclidine derivatives as muscarinic M3 receptor antagonists ASTRAZENECA AB (SE) 2012-12-11 US disclosed
US-20110172237-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS ASTRAZENECA UK LIMITED (GB) 2011-07-14 US disclosed
WO-2011038293-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-31 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 (3 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-20130171171-A1 PROSTAGLANDIN TRANSPORTER INHIBITORS SLC47A2, PTGES2, PTGS2 L3MBTL1 4532/4885TDP1 3107/4885GSK3B 3759/4885
US-20110172237-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM1 L3MBTL1 3522/4885TDP1 4196/4885GSK3B 1466/4885
US-20130030001-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM5 L3MBTL1 4214/4885TDP1 3997/4885GSK3B 1627/4885

“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.