SCHEMBL3583367

SCHEMBL3583367

CCCCc1ccc(C(=O)C(=O)c2ccccc2)s1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 9/20 0.49
CES1 P23141 8/20 0.49
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
PRNP P04156 1/20 0.46
RECQL P46063 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HPGD P15428 3/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.39
NAAA Q02083 1/20 0.39
SCD O00767 1/20 0.39
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL22531009 0.86 HPGD (0.62) CES2CES1POLBTDP1ALDH1A1
SCHEMBL3582862 0.84 POLB (0.51) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL261238 0.80 POLB (0.54) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL3583665 0.80 POLB (0.47) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL3186013 0.77 ALDH1A1 (0.66) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL3572565 0.76 TDP1 (0.43) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL846642 0.76 POLB (0.56) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL22531341 0.75 POLB (0.38) CES2CES1POLBTDP1ALDH1A1
SCHEMBL6653369 0.74 POLB (0.59) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL8971725 0.74 POLB (0.59) POLBTDP1ALDH1A1LMNAPRNP

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 7 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-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-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
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 CES2 2424/4885CES1 1153/4885POLB 2008/4885
US-20080306091-A1 AMINO-5-(5-MEMBERED)HETERO-ARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR beta-SECRETASE MODULATION BACE1, BACE2, APP CES2 2424/4885CES1 1153/4885POLB 2008/4885
US-20100168106-A1 Amino-5-(5-membered)heteroarylimidazolone Compounds And The Use Thereof For Beta-secretase Modulation BACE1, BACE2, APP CES2 2704/4885CES1 1473/4885POLB 1740/4885

“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.