SCHEMBL2601633

SCHEMBL2601633

COc1c(F)ccc2c(=O)c(C(=O)OB(OC(C)=O)OC(C)=O)cn(C3CC3)c12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.44
GSK3B P49841 2/20 0.44
KDM4E B2RXH2 6/20 0.43
HPGD P15428 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
POLB P06746 1/20 0.43
PRKD3 O94806 1/20 0.43
ALOX15 P16050 1/20 0.43
OPRM1 P35372 1/20 0.43
CLK2 P49760 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.40
TOP2A P11388 3/20 0.39
TOP2B Q02880 3/20 0.39
CYP2C19 P33261 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
SCHEMBL2601622 0.92 KCNH2 (0.44) KCNH2GSK3BKDM4EHPGDALDH1A1
SCHEMBL2825321 0.91 KCNH2 (0.45) KCNH2GSK3BKDM4EHPGDALDH1A1
SCHEMBL2825319 0.89 KCNH2 (0.46) KCNH2GSK3BKDM4EHPGDALDH1A1
SCHEMBL23298401 0.88 CYP3A4 (0.46) KCNH2GSK3BKDM4EHPGDALDH1A1
SCHEMBL13520173 0.88 TOP2A (0.41) KCNH2GSK3BKDM4EHPGDALDH1A1
SCHEMBL2108874 0.87 KDM4E (0.49) KCNH2GSK3BKDM4EHPGDALDH1A1
SCHEMBL14368791 0.87 KCNH2 (0.44) KCNH2GSK3BKDM4EHPGDALDH1A1
SCHEMBL14940560 0.86 KCNH2 (0.49) KCNH2GSK3BKDM4EHPGDALDH1A1
Acetic Acid SCHEMBL28945125 0.83 KCNH2 (0.58) KCNH2GSK3BKDM4EHPGDALDH1A1
SCHEMBL116421 0.83 KCNH2 (0.60) KCNH2GSK3BKDM4EHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658183-B2 Antimicrobial parenteral formulation Taigen Biotechnology Company, Ltd. (TW) 2014-02-25 US disclosed
US-8658183-B2 Antimicrobial parenteral formulation Taigen Biotechnology Company, Ltd. (TW) 2014-02-25 US disclosed
US-8211909-B2 Treatment of antibiotic-resistant bacteria infection TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2012-07-03 US disclosed
US-8211909-B2 Treatment of antibiotic-resistant bacteria infection TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2012-07-03 US disclosed
US-20120157492-A1 ANTIBIOTIC DRUG TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2012-06-21 US disclosed
US-20120157492-A1 ANTIBIOTIC DRUG TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2012-06-21 US disclosed
US-8158798-B2 Coupling process for preparing quinolone intermediates TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2012-04-17 US disclosed
US-8158798-B2 Coupling process for preparing quinolone intermediates TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2012-04-17 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
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-2007110836-A1 A HYDRIDE REDUCTION PROCESS FOR PREPARING QUINOLONE INTERMEDIATES THE PROCTER & GAMBLE COMPANY (US) 2007-10-04 WO 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-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
WO-2007110834-A2 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 (US) 2007-10-04 WO disclosed
US-20070232804-A1 Coupling 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
US-20070232806-A1 Hydride reduction process for preparing quinolone intermediates THE PROCTER & GAMBLE COMPANY (US) 2007-10-04 US disclosed
WO-2007110835-A2 A COUPLING PROCESS FOR PREPARING QUINOLONE INTERMEDIATES THE PROCTER & GAMBLE COMPANY (US) 2007-10-04 WO disclosed
US-7179805-B2 7-amino alkylidenyl-heterocyclic quinolones and naphthyridones JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-20 US disclosed
US-7179805-B2 7-amino alkylidenyl-heterocyclic quinolones and naphthyridones JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-20 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 KCNH2 1111/4885GSK3B 3457/4885KDM4E 1624/4885
US-20120157492-A1 ANTIBIOTIC DRUG MAL2, ME1, ACE KCNH2 1385/4885GSK3B 4467/4885KDM4E 943/4885
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 KCNH2 2469/4885GSK3B 3708/4885KDM4E 1950/4885
US-20070232806-A1 Hydride reduction process for preparing quinolone intermediates NQO1, NQO2, POR KCNH2 704/4885GSK3B 2436/4885KDM4E 2718/4885

“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.