SCHEMBL381854

SCHEMBL381854

COC(=O)CC(N)c1ccccc1OC

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CTSD P07339 1/20 0.47
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ TNF P01375 1/20 0.42
▸ PDE4A P27815 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ CTSA P10619 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ LPAR1 Q92633 1/20 0.41
▸ SMN1; SMN2 Q16637 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
SCHEMBL14662635 0.85 ESR1 (0.46) L3MBTL1CTSA
SCHEMBL5720914 0.85 POLB (0.55) HTTPOLBNPSR1L3MBTL1CTSD
SCHEMBL31364568 0.85 POLB (0.55) HTTPOLBNPSR1L3MBTL1CTSD
SCHEMBL3385975 0.85 POLB (0.55) HTTPOLBNPSR1L3MBTL1CTSD
SCHEMBL12463681 0.85 POLB (0.55) HTTPOLBNPSR1L3MBTL1CTSD
SCHEMBL28742011 0.84 POLB (0.46) HTTPOLBNPSR1L3MBTL1CTSD
SCHEMBL5720854 0.83 POLB (0.44) HTTPOLBNPSR1L3MBTL1CTSD
SCHEMBL6505942 0.83 KDM4E (0.44) HTTPDE4APDE4BPDE4CPDE4D
SCHEMBL18151122 0.83 HTT (0.66) HTTPOLBNPSR1L3MBTL1CTSD
SCHEMBL5769080 0.82 CASP1 (0.44) HTTCTSA

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
EP-2408751-B1 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER IP GMBH (DE) 2017-08-23 — — EP disclosed
US-8796324-B2 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-05 — — US disclosed
US-20120238607-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-09-20 — — US disclosed
US-8202895-B2 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-19 — — US disclosed
EP-2408751-A1 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof Bayer Pharma Aktiengesellschaft (DE) 2012-01-25 — — EP disclosed
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-14 — — US disclosed
WO-2010105770-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-23 — — 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 (2 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-20120238607-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF AADAC, NAT1, TNNT2 HTT 2154/4885POLB 3872/4885NPSR1 3282/4885
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF AADAC, NAT1, TNNT2 HTT 2154/4885POLB 3872/4885NPSR1 3282/4885

“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.

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