SCHEMBL726052

SCHEMBL726052

COc1cccc2c1c(CN(C)C(=O)C=Cc1ccc(N)nc1)cn2C

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.38
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
HTR2A P28223 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
POLB P06746 1/20 0.35
APP P05067 2/20 0.35
BCHE P06276 1/20 0.35
MAOA P21397 1/20 0.35
ACHE P22303 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL726049 1.00 MET (0.38) METHTR2CHTR2BHTR2AABCG2
SCHEMBL726114 0.88 POLB (0.38) HTR2CHTR2BHTR2APOLB
SCHEMBL726115 0.88 POLB (0.38) HTR2CHTR2BHTR2APOLB
SCHEMBL727172 0.87 HTR2A (0.38) HTR2CHTR2BHTR2APOLB
SCHEMBL726381 0.87 HTR2A (0.38) HTR2CHTR2BHTR2APOLB
SCHEMBL727175 0.87 HTR2A (0.38) HTR2CHTR2BHTR2APOLB
SCHEMBL726384 0.87 HTR2A (0.38) HTR2CHTR2BHTR2APOLB
SCHEMBL727102 0.85 FBP1 (0.38) METPOLBAPPBCHEMAOA
SCHEMBL727105 0.85 FBP1 (0.38) METPOLBAPPBCHEMAOA
SCHEMBL725021 0.83 HDAC1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060116394-A1 Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2006-06-01 US claimed
EP-1560584-A4 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2005-10-12 EP claimed
EP-1560584-A2 FAB I INHIBITORS Affinium Pharmaceuticals, Inc. (CA) 2005-08-10 EP claimed
US-20040147580-A1 Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2004-07-29 US claimed
WO-2003088897-A2 FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2003-10-30 WO claimed
US-20130281442-A1 Compounds for Treatment of Bovine Mastitis DEBIOPHARM INTERNATIONAL SA (CH) 2013-10-24 US disclosed
EP-2579863-A2 COMPOUNDS FOR TREATMENT OF BOVINE MASTITIS Affinium Pharmaceuticals, Inc. (CA) 2013-04-17 EP disclosed
US-8153652-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-04-10 US disclosed
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same BERMAN JUDD M (CA) 2012-01-12 US disclosed
WO-2011156811-A2 COMPOUNDS FOR TREATMENT OF BOVINE MASTITIS AFFINIUM PHARMACEUTICALS, INC. (CA) 2011-12-15 WO disclosed
US-20110098277-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2011-04-28 US disclosed
US-7879872-B2 comprising (E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide or pharmaceutically acceptable salts thereof; and gentamicin; wherein combination has an fractional inhibitory coconcentration index value of 0.3 against S. aureus 29213 AFFINIUM PHARMACEUTICALS, INC. (CA) 2011-02-01 US disclosed
US-20060116394-A1 Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2006-06-01 US disclosed
US-7049310-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-05-23 US disclosed
EP-1608377-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS Affinium Pharmaceuticals, Inc. (CA) 2005-12-28 EP disclosed
EP-1560584-A4 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2005-10-12 EP disclosed
EP-1560584-A2 FAB I INHIBITORS Affinium Pharmaceuticals, Inc. (CA) 2005-08-10 EP disclosed
WO-2004082586-A2 PHAMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARMACEUTICALS, INC. (US) 2004-09-30 WO disclosed
US-20040147580-A1 Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2004-07-29 US disclosed
WO-2003088897-A2 FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2003-10-30 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 (5 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-20130281442-A1 Compounds for Treatment of Bovine Mastitis LPO, MPO, MMP8 MET 3881/4885HTR2C 4353/4885HTR2B 3650/4885
US-20060116394-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI2 MET 4695/4885HTR2C 4837/4885HTR2B 4656/4885
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same DBI, SERPINB1, CTSF MET 4605/4885HTR2C 4853/4885HTR2B 4815/4885
US-20040147580-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI1 MET 4746/4885HTR2C 4840/4885HTR2B 4658/4885
US-20110098277-A1 Fab I Inhibitors SERPINB1, TMBIM6, GDI2 MET 4695/4885HTR2C 4837/4885HTR2B 4656/4885

“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.