SCHEMBL759373

SCHEMBL759373

FC(F)(F)c1ccc(N2CCC(Oc3cc(C(F)(F)F)nn3-c3cccc(Cl)c3)CC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ABL1 P00519 1/20 0.44
LMNA P02545 1/20 0.44
GPR119 Q8TDV5 1/20 0.43
L3MBTL1 Q9Y468 6/20 0.43
HRH3 Q9Y5N1 2/20 0.42
TGFBR1 P36897 1/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40

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
SCHEMBL14671669 0.89 KDM4E (0.44) KDM4EABL1LMNAGPR119L3MBTL1
SCHEMBL761742 0.80 HRH3 (0.48) KDM4EABL1LMNAGPR119L3MBTL1
SCHEMBL15745699 0.76 NR1H2 (0.43) KDM4EABL1LMNAGPR119L3MBTL1
SCHEMBL15745703 0.76 HRH3 (0.45) KDM4EABL1LMNAGPR119L3MBTL1
SCHEMBL755929 0.74 SMN1; SMN2 (0.58) KDM4EABL1LMNAL3MBTL1HRH3
SCHEMBL759929 0.74 SMN1; SMN2 (0.45) KDM4EABL1LMNAGPR119L3MBTL1
SCHEMBL756547 0.74 HRH3 (0.44) KDM4EABL1LMNAGPR119L3MBTL1
SCHEMBL759359 0.74 HRH3 (0.48) KDM4EABL1LMNAGPR119L3MBTL1
SCHEMBL3218002 0.73 GPR119 (0.52) KDM4EABL1LMNAGPR119L3MBTL1
SCHEMBL757341 0.72 HRH3 (0.44) KDM4EABL1LMNAGPR119L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140148477-A1 ANIMAL ECTOPARASITE-CONTROLLING AGENT AND METHOD FOR PREVENTING OR TREATING INFECTION IN ANIMALS CAUSED BY PARASITES BY USING THE CONTROLLING AGENT OTSUKA AGRITECHNO CO., LTD. (JP) 2014-05-29 US disclosed
US-20140148477-A1 ANIMAL ECTOPARASITE-CONTROLLING AGENT AND METHOD FOR PREVENTING OR TREATING INFECTION IN ANIMALS CAUSED BY PARASITES BY USING THE CONTROLLING AGENT OTSUKA AGRITECHNO CO., LTD. (JP) 2014-05-29 US disclosed
EP-2118093-B1 [1,2,3]TRIAZOLYL SUBSTITUTED QUINOLINES AND COUMARINS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK CANADA INC (CA) 2012-03-21 EP disclosed
EP-2050745-B1 N-PYRIDYLPIPERIDINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND PEST CONTROL AGENT OTSUKA AGRITECHNO CO LTD (JP) 2012-03-21 EP disclosed
US-7994094-B2 N-pyridylpiperidine compound, method for producing the same, and pest control agent OTSUKA AGRITECHNO CO., LTD. (JP) 2011-08-09 US disclosed
US-7994094-B2 N-pyridylpiperidine compound, method for producing the same, and pest control agent OTSUKA AGRITECHNO CO., LTD. (JP) 2011-08-09 US disclosed
US-7994094-B2 N-pyridylpiperidine compound, method for producing the same, and pest control agent OTSUKA AGRITECHNO CO., LTD. (JP) 2011-08-09 US disclosed
US-7960409-B2 e.g. 4-(3-fluorophenyl)-7-({4-[1-hydroxy-1-(trifluoromethyl)propyl]-1H-1,2,3-triazol-1-yl}methyl)-2H-chromen-2-one; leukotriene biosynthesis and 5-lipoxygenase (5-LO); inhibitor; antiatherosclerotic, antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents MERCK SHARP & DOHME CORP. (US) 2011-06-14 US disclosed
US-20100137582-A1 N-PYRIDYLPIPERIDINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND PEST CONTROL AGENT OTSUKA CHEMICAL CO., LTD. (JP) 2010-06-03 US disclosed
US-20100137582-A1 N-PYRIDYLPIPERIDINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND PEST CONTROL AGENT OTSUKA CHEMICAL CO., LTD. (JP) 2010-06-03 US disclosed
US-20100137582-A1 N-PYRIDYLPIPERIDINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND PEST CONTROL AGENT OTSUKA CHEMICAL CO., LTD. (JP) 2010-06-03 US disclosed
EP-2050745-A1 N-PYRIDYLPIPERIDINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND PEST CONTROL AGENT Otsuka Chemical Co., Ltd. (JP) 2009-04-22 EP disclosed
WO-2008095292-A1 [1,2,3] TRIAZOLYL SUBSTITUTED QUINOLINES AND COUMARINS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA LTD. (CA) 2008-08-14 WO disclosed
US-20080188521-A1 e.g. 4-(3-fluorophenyl)-7-({4-[1-hydroxy-1-(trifluoromethyl)propyl]-1H-1,2,3-triazol-1-yl}methyl)-2H-chromen-2-one; leukotriene biosynthesis and 5-lipoxygenase (5-LO); inhibitor; antiatherosclerotic, antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents MERCK CANADA INC. (CA) 2008-08-07 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 (3 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-20100137582-A1 N-PYRIDYLPIPERIDINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND PEST CONTROL AGENT HRH4, NOX4, PRDX4 KDM4E 471/4885ABL1 542/4885LMNA 4100/4885
US-20080188521-A1 e.g. 4-(3-fluorophenyl)-7-({4-[1-hydroxy-1-(trifluoromethyl)propyl]-1H-1,2,3-triazol-1-yl}methyl)-2H-chromen-2-one; leukotriene biosynthesis and 5-lipoxygenase (5-LO); inhibitor; antiatherosclerotic, antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents ALOX5, ALOX15, ALOX15B KDM4E 830/4885ABL1 2547/4885LMNA 630/4885
US-20140148477-A1 ANIMAL ECTOPARASITE-CONTROLLING AGENT AND METHOD FOR PREVENTING OR TREATING INFECTION IN ANIMALS CAUSED BY PARASITES BY USING THE CONTROLLING AGENT PIR, ITPA, CAT KDM4E 744/4885ABL1 3685/4885LMNA 3284/4885

“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.