SCHEMBL872573

SCHEMBL872573

O=[N+]([O-])c1ccc(-n2cncn2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.49
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RAB9A P51151 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 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
SCHEMBL4764865 0.82 HPGD (0.51) FBP1KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL3379193 0.82 LMNA (0.52) FBP1TDP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL15156883 0.79 FBP1 (0.49) FBP1TDP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL7473254 0.79 FBP1 (0.46) FBP1TDP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL30832672 0.79 ALDH1A1 (0.56) FBP1TDP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL12312090 0.79 ALDH1A1 (0.56) FBP1TDP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL7419084 0.78 KDM4E (0.46) FBP1ATMKDM4EALDH1A1SMN1; SMN2
SCHEMBL17743250 0.77 MAPT (0.54) ATMTDP1ALDH1A1MAPTKMT2A
SCHEMBL15283772 0.76 KDM4E (0.44) FBP1KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL6034692 0.74 FBP1 (0.60) FBP1ATMKDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077856-A1 PHARMACEUTICAL PRODUCT TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-03-29 US disclosed
EP-2366389-A1 Severe sepsis preventive therapeutic agent Takeda Pharmaceutical Company Limited (JP) 2011-09-21 EP disclosed
US-20110184034-A1 Severe sepsis preventive therapeutic agent TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-28 US disclosed
US-7960416-B2 Oil-in-water emulsion of a 1-carboxylate-6-arylsulfamoyl cyclohexene and synthetic and naturally occurring phospholipids; nitric oxide or cytokine prodution inhibitors; cardiovascular disorders, autoimmune dieseases, septic shock; improved stability during autoclave sterilization TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
EP-2260869-A2 Pharmaceutical product Takeda Pharmaceutical Company Limited (JP) 2010-12-15 EP disclosed
EP-2255785-A2 Stable emulsion composition Takeda Pharmaceutical Company Limited (JP) 2010-12-01 EP disclosed
US-20100016381-A1 STABLE EMULSION COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
EP-1523475-B1 HETEROCYCLICALLY SUBSTITUTED BENZOYLUREAS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-12-23 EP disclosed
US-20090105314-A1 Pharmaceutical Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-04-23 US disclosed
US-20090062355-A1 Pharmaceutical Product TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-03-05 US disclosed
US-20040152743-A1 Heterocyclically substituted benzoylureas, process for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-05 US disclosed
US-20040063685-A1 Cycloalkene antisepsis drug with antibacterial, antifungal, nonsteroidal antiinflammatory, steroid and/or anticoagulant agents TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
WO-2004007455-A1 HETEROCYCLICALLY SUBSTITUTED BENZOYLUREAS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-01-22 WO disclosed
US-20030216475-A1 Pharmaceutical composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-11-20 US disclosed
US-20030212114-A1 Stable emulsion compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-11-13 US disclosed
EP-1348443-A1 COMBINATION DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-10-01 EP disclosed
EP-1310248-A1 PHARMACEUTICAL COMPOSITION Takeda Chemical Industries, Ltd. (JP) 2003-05-14 EP disclosed
US-6495604-B1 SUCH AS D-ETHYL-6-(N-(2,4-DIFLUOROPHENYL)SULFAMOYL)-1-CYCLOHEXENE-1-CARBOXYLATE FOR INHIBITING NITRIC OXIDE AND/OR CYTOKINE PRODUCTION; FOR PREVENTING OR TREATING CARDIAC DISEASE, AUTOIMMUNE DISEASE OR SEPTIC SHOCK TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-17 US disclosed
EP-1254659-A1 STABLE EMULSION COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2002-11-06 EP disclosed
EP-1063228-A1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2000-12-27 EP 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 (9 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-20040063685-A1 Cycloalkene antisepsis drug with antibacterial, antifungal, nonsteroidal antiinflammatory, steroid and/or anticoagulant agents ELANE, MMP8, SERPINC1 FBP1 1307/4885ATM 2486/4885TDP1 2379/4885
US-20030212114-A1 Stable emulsion compositions AHR, NR1H2, NR1H3 FBP1 4398/4885ATM 4282/4885TDP1 3555/4885
US-20090105314-A1 Pharmaceutical Agent TLR1, TLR6, TPMT FBP1 137/4885ATM 3544/4885TDP1 1550/4885
US-20090062355-A1 Pharmaceutical Product ATF1, ATF4, TLR8 FBP1 318/4885ATM 1562/4885TDP1 3949/4885
US-20110184034-A1 Severe sepsis preventive therapeutic agent TLR1, TLR5, TLR4 FBP1 871/4885ATM 1474/4885TDP1 3831/4885
US-20030216475-A1 Pharmaceutical composition ARRB1, ADRA1B, ADRB1 FBP1 3252/4885ATM 4494/4885TDP1 2616/4885
US-20040152743-A1 Heterocyclically substituted benzoylureas, process for their preparation and their use as pharmaceuticals SLC5A2, CYP1B1, CYP2C19 FBP1 968/4885ATM 3758/4885TDP1 2188/4885
US-20120077856-A1 PHARMACEUTICAL PRODUCT ATF1, ATF4, TLR8 FBP1 318/4885ATM 1562/4885TDP1 3949/4885
US-20100016381-A1 STABLE EMULSION COMPOSITION LIPA, PHOSPHO1, CEL FBP1 2435/4885ATM 4811/4885TDP1 3391/4885

“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.