SCHEMBL974815

SCHEMBL974815

CCCC(=O)NC(CC)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 8/20 0.51
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CTSD P07339 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
SLC6A5 Q9Y345 1/20 0.41
GNPAT O15228 1/20 0.41
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.39
FAAH O00519 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
FFAR3 O14843 1/20 0.39
EPHX2 P34913 2/20 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
SCHEMBL4627107 0.88 NOD1 (0.62) NOD1SLC6A5MEN1FAAHMAPK1
SCHEMBL15623817 0.87 NOD1 (0.61) NOD1SLC6A5GNPATMEN1FAAH
SCHEMBL9828089 0.86 NOD1 (0.70) NOD1SLC6A5MEN1FAAHMAPK1
SCHEMBL12655871 0.85 GNPAT (0.56) NOD1GNPATPOLB
SCHEMBL9651941 0.85 MME (0.51) NOD1HDAC3HDAC1HDAC2HDAC8
SCHEMBL21314174 0.85 MME (0.51) NOD1HDAC3HDAC1HDAC2HDAC8
SCHEMBL28378530 0.85 NOD1 (0.59) NOD1HDAC3HDAC1HDAC2HDAC8
SCHEMBL5821359 0.85 MME (0.51) NOD1HDAC3HDAC1HDAC2HDAC8
SCHEMBL20225680 0.84 NOD1 (0.73) NOD1SLC6A5MEN1FAAHMAPK1
SCHEMBL22262078 0.84 NOD1 (0.73) NOD1SLC6A5MEN1FAAHMAPK1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059844-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-03-07 US disclosed
US-20130059844-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-03-07 US disclosed
US-20130059844-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-03-07 US disclosed
EP-2295436-A1 2-Phenyl-subsitituted Imidazotriazinones as Phosphodiesterase V inhibitors Bayer Schering Pharma AG (DE) 2011-03-16 EP disclosed
US-20110009367-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-13 US disclosed
US-20110009367-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-13 US disclosed
US-7704999-B2 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-27 US disclosed
US-7704999-B2 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-27 US disclosed
US-7704999-B2 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-27 US disclosed
US-7696206-B2 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-13 US disclosed
CN-1234708-C Novel imidazotriazinones and the use thereof BAYER AG (DE) 2006-01-04 CN disclosed
US-20050267112-A1 Novel imidazotriazinones and the use thereof BAYER AKTIENGESELLSCHAFT (US) 2005-12-01 US disclosed
US-6890922-B2 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors BAYER HEALTHCARE AG (DE) 2005-05-10 US disclosed
US-6878708-B2 Imidazotriazinones and the use thereof BAYER AKTIENGESELLSCHAFT (DE) 2005-04-12 US disclosed
US-20050070541-A1 2-Phenyl substituted imidazotriazinones as phosphodiesterase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 2005-03-31 US disclosed
US-20040097498-A1 Novel imidazotriazinones and the use thereof BAYER AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
US-20040067945-A1 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-04-08 US disclosed
US-6566360-B1 Administering 2-phenyl-substituted imidazotriazinones having short, unbranched alkyl radicals in the 9-position for therapy of hypertrophy of the prostate, incontinence or female sexual dysfunction in mammals BAYER AKTIENGESELLSCHAFT (DE) 2003-05-20 US disclosed
CN-1407986-A Novel imidazotriazinones and the use thereof BAYER AG (DE) 2003-04-02 CN disclosed
US-6362178-B1 TREATMENT OF CARDIOVASCULAR DIORDERS, CEREBROVASCULAR DISORDERS, UROGENITAL DISORDERS AND ERECTILE DYSFUNCTION BAYER AKTIENGESELLSCHAFT (DE) 2002-03-26 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 (6 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-20040097498-A1 Novel imidazotriazinones and the use thereof CYP4F3, CYP4F2, CYP3A7 NOD1 2843/4885HDAC3 2177/4885HDAC1 1988/4885
US-20110009367-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE2A NOD1 2143/4885HDAC3 2716/4885HDAC1 3619/4885
US-20130059844-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE2A NOD1 2143/4885HDAC3 2716/4885HDAC1 3619/4885
US-20050070541-A1 2-Phenyl substituted imidazotriazinones as phosphodiesterase inhibitors PDE3B, PDE3A, PDE2A NOD1 2143/4885HDAC3 2716/4885HDAC1 3619/4885
US-20050267112-A1 Novel imidazotriazinones and the use thereof CYP3A7, CYP4F2, CYP4F3 NOD1 3147/4885HDAC3 2287/4885HDAC1 2561/4885
US-20040067945-A1 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors PDE3B, PDE3A, PDE2A NOD1 2143/4885HDAC3 2716/4885HDAC1 3619/4885

“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.