SCHEMBL116279

SCHEMBL116279

CCOC(=O)/C(=C\NC1CC1)C(=O)c1ccc(F)c(OC)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.36
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
NPSR1 Q6W5P4 4/20 0.36
LMNA P02545 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
MEP1B Q16820 1/20 0.36
DHODH Q02127 2/20 0.36
GAA P10253 4/20 0.34
TDP1 Q9NUW8 1/20 0.34
PLIN1 O60240 1/20 0.34
POLB P06746 1/20 0.34
PLIN5 Q00G26 1/20 0.34
ABHD5 Q8WTS1 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL6233921 1.00 MAPT (0.36) MAPTKMT2AMEN1NPSR1LMNA
SCHEMBL141511 1.00 MAPT (0.36) MAPTKMT2AMEN1NPSR1LMNA
SCHEMBL12219484 0.91 MAPT (0.36) MAPTKMT2AMEN1NPSR1LMNA
SCHEMBL6241158 0.89 NPSR1 (0.36) MAPTKMT2AMEN1NPSR1LMNA
SCHEMBL6241154 0.89 NPSR1 (0.36) MAPTKMT2AMEN1NPSR1LMNA
SCHEMBL9145727 0.88 MAPT (0.39) MAPTKMT2AMEN1NPSR1LMNA
SCHEMBL9145729 0.88 MAPT (0.39) MAPTKMT2AMEN1NPSR1LMNA
SCHEMBL23298400 0.87 MAPT (0.36) MAPTKMT2AMEN1NPSR1LMNA
SCHEMBL12752723 0.87 MAPT (0.36) MAPTKMT2AMEN1NPSR1LMNA
SCHEMBL9149987 0.87 MAPT (0.35) MAPTKMT2AMEN1NPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US disclosed
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US disclosed
US-8039485-B2 Malate salts, and polymorphs of (3S,5S)-7-[3-amino-5-methyl-piperidinyl]-1-cyclopropyl-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid WARNER CHILCOTT COMPANY, LLC (US) 2011-10-18 US disclosed
WO-2009137130-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2009-11-12 WO disclosed
US-7528264-B2 Hydride reduction process for preparing quinolone intermediates THE PROCTER & GAMBLE COMPANY (US) 2009-05-05 US disclosed
US-7456279-B2 Coupling process for preparing quinolone intermediates THE PROCTER & GAMBLE COMPANY (US) 2008-11-25 US disclosed
US-20070232650-A1 Malate salts, and polymorphs of (3S,5S)-7-[3-amino-5-methyl-piperidinyl]-1-cyclopropyl-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid THE PROCTER & GAMBLE COMPANY 2007-10-04 US disclosed
US-20070232806-A1 Hydride reduction process for preparing quinolone intermediates THE PROCTER & GAMBLE COMPANY (US) 2007-10-04 US disclosed
US-20070232804-A1 Coupling process for preparing quinolone intermediates THE PROCTER & GAMBLE COMPANY (US) 2007-10-04 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 (4 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-20070232804-A1 Coupling process for preparing quinolone intermediates CYP3A4, CYP4B1, CYP4X1 MAPT 4271/4885KMT2A 2928/4885MEN1 1363/4885
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 MAPT 4835/4885KMT2A 4780/4885MEN1 3668/4885
US-20070232650-A1 Malate salts, and polymorphs of (3S,5S)-7-[3-amino-5-methyl-piperidinyl]-1-cyclopropyl-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid SLC25A11, MDH2, MDH1 MAPT 1783/4885KMT2A 2561/4885MEN1 1184/4885
US-20070232806-A1 Hydride reduction process for preparing quinolone intermediates NQO1, NQO2, POR MAPT 4381/4885KMT2A 1279/4885MEN1 1566/4885

“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.