SCHEMBL1093476

SCHEMBL1093476

CNCc1cn(C)c2c(OC)cccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.44
▸ CYP19A1 P11511 1/20 0.40
▸ NQO2 P16083 1/20 0.40
▸ PTGS2 P35354 2/20 0.39
▸ SLC6A4 P31645 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ SLC6A2 P23975 2/20 0.39
▸ SLC6A3 Q01959 2/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ HTR7 P34969 2/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ FBP1 P09467 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ ATM Q13315 1/20 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
SCHEMBL1092570 0.81 ALDH1A1 (0.48) SLC6A4ALDH1A1HTR2AGAA
SCHEMBL1092687 0.80 PTGS2 (0.41) NQO2PTGS2HPGDTRPM5
SCHEMBL1092203 0.78 PTGS2 (0.43) PTGS2SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL1093363 0.78 PTGS2 (0.61) CNR2NQO2PTGS2KDM4EALDH1A1
SCHEMBL1093791 0.78 PTGS2 (0.40) PTGS2SLC6A4KDM4EALDH1A1SLC6A2
SCHEMBL1093038 0.77 NR4A2 (0.47) PTGS2KDM4EALDH1A1HPGDGAA
SCHEMBL11059230 0.76 KDM4E (0.48) CNR2CYP19A1NQO2PTGS2KDM4E
SCHEMBL1093195 0.76 HTR2C (0.42) SLC6A4SLC6A2SLC6A3KCNH2HTR7
SCHEMBL19872629 0.74 TRPM5 (0.48) PTGS2KDM4ETRPM5
SCHEMBL17385120 0.74 NQO2 (0.58) CNR2CYP19A1NQO2KDM4EALDH1A1

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 18 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
EP-1608377-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARM INC (CA) 2008-10-01 — — 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-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 (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 CNR2 4669/4885CYP19A1 4132/4885NQO2 38/4885
US-20060116394-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI2 CNR2 4676/4885CYP19A1 4398/4885NQO2 77/4885
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same DBI, SERPINB1, CTSF CNR2 4581/4885CYP19A1 2605/4885NQO2 141/4885
US-20040147580-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI1 CNR2 4697/4885CYP19A1 4374/4885NQO2 74/4885
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same DBI, SERPINB1, CTSF CNR2 4581/4885CYP19A1 2605/4885NQO2 141/4885
US-20110098277-A1 Fab I Inhibitors SERPINB1, TMBIM6, GDI2 CNR2 4676/4885CYP19A1 4398/4885NQO2 77/4885

“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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