SCHEMBL726383

SCHEMBL726383

CC(c1c[nH]c2cccc(F)c12)N(C)C(=O)C=Cc1ccc(N)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
SLC6A4 P31645 2/20 0.33
TDO2 P48775 1/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
ESR1 P03372 1/20 0.33
KCNH2 Q12809 1/20 0.32
FFAR1 O14842 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
MET P08581 1/20 0.31
PADI4 Q9UM07 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31

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
SCHEMBL726382 1.00 HTR2A (0.34) HTR2AHTR2CHTR2BSLC6A4TDO2
SCHEMBL1093506 0.90 ESR1 (0.33) ESR1GPR84HDAC3HDAC4HDAC1
SCHEMBL1093504 0.90 ESR1 (0.33) ESR1GPR84HDAC3HDAC4HDAC1
SCHEMBL727173 0.89 NR4A2 (0.36) SLC6A4ESR1KCNH2GPR84HDAC3
SCHEMBL727174 0.89 NR4A2 (0.36) SLC6A4ESR1KCNH2GPR84HDAC3
SCHEMBL726051 0.87 MET (0.37) HTR2AHTR2BHTR1AHTR7HTR6
SCHEMBL726050 0.87 MET (0.37) HTR2AHTR2BHTR1AHTR7HTR6
SCHEMBL725928 0.85 MPO (0.35) SLC6A4KCNH2
SCHEMBL725929 0.85 MPO (0.35) SLC6A4KCNH2
SCHEMBL725023 0.85 HDAC3 (0.43) HTR2AHTR2CHTR2BHTR1AHTR7

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 HTR2A 4031/4885HTR2C 4353/4885HTR2B 3650/4885
US-20060116394-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI2 HTR2A 4782/4885HTR2C 4837/4885HTR2B 4656/4885
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same DBI, SERPINB1, CTSF HTR2A 4841/4885HTR2C 4853/4885HTR2B 4815/4885
US-20040147580-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI1 HTR2A 4792/4885HTR2C 4840/4885HTR2B 4658/4885
US-20110098277-A1 Fab I Inhibitors SERPINB1, TMBIM6, GDI2 HTR2A 4782/4885HTR2C 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.