SCHEMBL1093592

SCHEMBL1093592

CN(Cc1c[nH]c2cccc(Cl)c12)C(=O)C=Cc1ccc(N)nc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
NR4A2 P43354 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
PLAU P00749 1/20 0.36
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
REN P00797 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL1093589 1.00 SLC6A4 (0.41) SLC6A4GPR84NR4A2HTR2AHTR2C
SCHEMBL725142 0.89 HTR2A (0.42) GPR84HTR2AHTR2CHTR2BREN
SCHEMBL725141 0.89 HTR2A (0.42) GPR84HTR2AHTR2CHTR2BREN
SCHEMBL724656 0.85 SLC6A4 (0.41) SLC6A4NR4A2HTR2APLAU
SCHEMBL724657 0.85 SLC6A4 (0.41) SLC6A4NR4A2HTR2APLAU
SCHEMBL726964 0.84 KDM4E (0.45) HTR2AHTR2CHTR2BCDK4CCND1
SCHEMBL726963 0.84 KDM4E (0.45) HTR2AHTR2CHTR2BCDK4CCND1
SCHEMBL727173 0.81 NR4A2 (0.36) SLC6A4GPR84NR4A2KCNH2
SCHEMBL727174 0.81 NR4A2 (0.36) SLC6A4GPR84NR4A2KCNH2
SCHEMBL1092795 0.81 MTNR1A (0.41) SLC6A4GPR84HTR2APLAU

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-7741339-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2010-06-22 US disclosed
US-20090221699-A1 E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide, useful in the treatment bacterial infections. DEBIOPHARM INTERNATIONAL SA (CH) 2009-09-03 US disclosed
EP-1560584-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2009-01-14 EP disclosed
US-7250424-B2 E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide, useful in the treatment bacterial infections. AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-07-31 US disclosed
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-06-29 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-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
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 (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-20090221699-A1 E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide, useful in the treatment bacterial infections. ACR, NANP, MDN1 SLC6A4 3558/4885GPR84 4469/4885NR4A2 1640/4885
US-20060116394-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI2 SLC6A4 4634/4885GPR84 3676/4885NR4A2 4189/4885
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same DBI, SERPINB1, CTSF SLC6A4 4849/4885GPR84 4560/4885NR4A2 4212/4885
US-20040147580-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI1 SLC6A4 4631/4885GPR84 3818/4885NR4A2 4176/4885
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same DBI, SERPINB1, CTSF SLC6A4 4849/4885GPR84 4560/4885NR4A2 4212/4885
US-20110098277-A1 Fab I Inhibitors SERPINB1, TMBIM6, GDI2 SLC6A4 4634/4885GPR84 3676/4885NR4A2 4189/4885

“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.