SCHEMBL1025870

SCHEMBL1025870

CC(C)(C)Sc1cnccc1-c1nc2cc(C(F)(F)F)ccc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 2/20 0.43
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GFER P55789 1/20 0.39
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
UTRN P46939 3/20 0.36
SLC22A12 Q96S37 1/20 0.36
PDE2A O00408 1/20 0.36
PDE7A Q13946 1/20 0.36
PDE10A Q9Y233 1/20 0.36
PTPN2 P17706 2/20 0.35
PTPN1 P18031 2/20 0.35

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
SCHEMBL1023062 0.88 AGPAT2 (0.44) AGPAT2NPC1RAB9AGFERHDAC3
SCHEMBL1022441 0.85 AGPAT2 (0.42) AGPAT2NPC1RAB9AHDAC3HDAC1
SCHEMBL1023908 0.85 AGPAT2 (0.42) AGPAT2NPC1RAB9AGFERHDAC3
SCHEMBL4544389 0.85 KDM4E (0.48) AGPAT2NPC1RAB9AKDM4EALDH1A1
SCHEMBL1025845 0.84 AGPAT2 (0.42) AGPAT2HDAC3HDAC1HDAC2HDAC8
SCHEMBL1027401 0.83 AGPAT2 (0.40) AGPAT2NPC1RAB9AHDAC3HDAC1
SCHEMBL1024543 0.82 AGPAT2 (0.40) AGPAT2NPC1RAB9AHDAC3HDAC1
SCHEMBL1024552 0.82 PDE10A (0.49) AGPAT2NPC1RAB9AHDAC3HDAC1
SCHEMBL1023875 0.81 AGPAT2 (0.39) AGPAT2NPC1RAB9AHDAC3HDAC1
SCHEMBL1024766 0.81 AGPAT2 (0.45) AGPAT2NPC1RAB9AHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274983-B1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-05-31 EP disclosed
EP-2274983-B1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-05-31 EP disclosed
US-8609705-B2 Fused heterocyclic compounds, and compositions thereof, for use in arthropod pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-17 US disclosed
US-20130190271-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-25 US disclosed
US-20130190271-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-25 US disclosed
US-8445522-B2 Substituted 2-(4-pyridyl)benzoxazoles, and compositions thereof, for use in arthropod pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-21 US disclosed
US-8445522-B2 Substituted 2-(4-pyridyl)benzoxazoles, and compositions thereof, for use in arthropod pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-21 US disclosed
US-8324387-B2 Substituted Oxazolo[5,4-b]pyridines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-12-04 US disclosed
US-8324387-B2 Substituted Oxazolo[5,4-b]pyridines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-12-04 US disclosed
US-20120264750-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-18 US disclosed
US-20120108586-A1 ARTHROPOD PEST CONTROL METHOD AND COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-03 US disclosed
US-20120108586-A1 ARTHROPOD PEST CONTROL METHOD AND COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-03 US disclosed
WO-2011049220-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-28 WO disclosed
WO-2011049223-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-28 WO disclosed
WO-2011049222-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-28 WO disclosed
WO-2011049221-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-28 WO disclosed
WO-2011040629-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-07 WO disclosed
US-20110039843-A1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-17 US disclosed
US-20110039843-A1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-17 US disclosed
EP-2274983-A1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-01-19 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 (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-20120108586-A1 ARTHROPOD PEST CONTROL METHOD AND COMPOSITION C5, C1S, C1R AGPAT2 652/4885NPC1 2313/4885RAB9A 373/4885
US-20120264750-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, ACHE, AADAC AGPAT2 1499/4885NPC1 3065/4885RAB9A 628/4885
US-20110039843-A1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND C5, C9, C1S AGPAT2 1148/4885NPC1 1938/4885RAB9A 182/4885
US-20130190271-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF CYC1, C9, C5 AGPAT2 1407/4885NPC1 1904/4885RAB9A 310/4885

“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.