SCHEMBL3581022

SCHEMBL3581022

CCn1ccc(C(=O)C(=O)c2cccc(Br)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.45
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 5/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.42
MAPT P10636 2/20 0.40
GLA P06280 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
PLAU P00749 1/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40

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
SCHEMBL3575784 0.83 PARP1 (0.41) PARP1TSHRNPSR1L3MBTL1ALDH1A1
SCHEMBL6670439 0.78 PARP1 (0.68) PARP1TSHRNPSR1L3MBTL1ALDH1A1
SCHEMBL7888945 0.74 KMT2A (0.46) PARP1TSHRNPSR1L3MBTL1ALDH1A1
SCHEMBL4229652 0.73 CES2 (0.61) PARP1L3MBTL1ALDH1A1TP53HPGD
SCHEMBL28473333 0.71 CES2 (0.67) PARP1L3MBTL1ALDH1A1TP53HPGD
SCHEMBL969727 0.71 AKR1B1 (0.46) TSHRL3MBTL1ALDH1A1TP53MAPT
SCHEMBL10505913 0.71 PARP1 (0.59) PARP1TSHRNPSR1L3MBTL1ALDH1A1
SCHEMBL7884497 0.70 ALPL (0.48) PARP1TSHRNPSR1L3MBTL1ALDH1A1
SCHEMBL4553409 0.70 AKR1B1 (0.41) PARP1TSHRL3MBTL1MAPTMEN1
SCHEMBL22572028 0.70 MAPT (0.41) TSHRL3MBTL1ALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168106-A1 Amino-5-(5-membered)heteroarylimidazolone Compounds And The Use Thereof For Beta-secretase Modulation WYETH LLC (US) 2010-07-01 US disclosed
US-20100168106-A1 Amino-5-(5-membered)heteroarylimidazolone Compounds And The Use Thereof For Beta-secretase Modulation WYETH LLC (US) 2010-07-01 US disclosed
US-20100168106-A1 Amino-5-(5-membered)heteroarylimidazolone Compounds And The Use Thereof For Beta-secretase Modulation WYETH LLC (US) 2010-07-01 US disclosed
US-7705030-B2 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for β-secretase modulation WYETH LLC (US) 2010-04-27 US disclosed
US-7705030-B2 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for β-secretase modulation WYETH LLC (US) 2010-04-27 US disclosed
US-7705030-B2 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for β-secretase modulation WYETH LLC (US) 2010-04-27 US disclosed
US-20080306091-A1 AMINO-5-(5-MEMBERED)HETERO-ARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR beta-SECRETASE MODULATION WYETH (US) 2008-12-11 US disclosed
US-20080306091-A1 AMINO-5-(5-MEMBERED)HETERO-ARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR beta-SECRETASE MODULATION WYETH (US) 2008-12-11 US disclosed
US-20080306091-A1 AMINO-5-(5-MEMBERED)HETERO-ARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR beta-SECRETASE MODULATION WYETH (US) 2008-12-11 US disclosed
US-7417047-B2 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for β-secretase modulation WYETH (US) 2008-08-26 US disclosed
US-7417047-B2 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for β-secretase modulation WYETH (US) 2008-08-26 US disclosed
US-7417047-B2 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for β-secretase modulation WYETH (US) 2008-08-26 US disclosed
EP-1896454-A1 AMlNO-5-(5-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR -SECRETASE MODULATION Wyeth a Corporation of the State of Delaware (US) 2008-03-12 EP disclosed
WO-2007005366-A1 AMlNO-5-(5-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR β-SECRETASE MODULATION WYETH (US) 2007-01-11 WO disclosed
WO-2007005366-A1 AMlNO-5-(5-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR β-SECRETASE MODULATION WYETH (US) 2007-01-11 WO disclosed
US-20070004786-A1 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for beta-secretase modulation WYETH (US) 2007-01-04 US disclosed
US-20070004786-A1 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for beta-secretase modulation WYETH (US) 2007-01-04 US disclosed
US-20070004786-A1 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for beta-secretase modulation WYETH (US) 2007-01-04 US 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-20070004786-A1 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for beta-secretase modulation BACE1, BACE2, APP PARP1 1843/4885TSHR 4731/4885NPSR1 1670/4885
US-20080306091-A1 AMINO-5-(5-MEMBERED)HETERO-ARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR beta-SECRETASE MODULATION BACE1, BACE2, APP PARP1 1843/4885TSHR 4731/4885NPSR1 1670/4885
US-20100168106-A1 Amino-5-(5-membered)heteroarylimidazolone Compounds And The Use Thereof For Beta-secretase Modulation BACE1, BACE2, APP PARP1 1286/4885TSHR 4674/4885NPSR1 1791/4885

“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.