SCHEMBL964310

SCHEMBL964310

[CH2]C#CCCNc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MAPT P10636 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.45
DPP7 Q9UHL4 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
GAA P10253 2/20 0.34
GRM5 P41594 1/20 0.34
DRD4 P21917 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
CTSD P07339 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MAN1B1 Q9UKM7 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 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
SCHEMBL968684 0.80 MAPT (0.59) ALDH1A1MAPTL3MBTL1HRH3GAA
SCHEMBL968474 0.78 GRM5 (0.47) ALDH1A1MAPTL3MBTL1CA12CA2
SCHEMBL966994 0.78 MAPT (0.65) ALDH1A1MAPTGAAHSD17B10HTT
SCHEMBL141474 0.74 GAA (0.58) ALDH1A1MAPTL3MBTL1HRH3CA12
SCHEMBL964857 0.74 ALDH1A1 (0.56) ALDH1A1MAPTL3MBTL1DPP7HRH3
SCHEMBL6699454 0.74 ALDH1A1 (0.56) ALDH1A1MAPTL3MBTL1DPP7HRH3
SCHEMBL20619720 0.74 ALDH1A1 (0.56) ALDH1A1MAPTL3MBTL1HRH3CA12
SCHEMBL232188 0.74 MAPT (0.78) ALDH1A1MAPTL3MBTL1HRH3CA12
SCHEMBL1562142 0.71 MAPT (0.74) ALDH1A1MAPTL3MBTL1HRH3CA12
SCHEMBL6416019 0.71 MAPT (0.74) ALDH1A1MAPTL3MBTL1HRH3CA12

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-8513162-B2 Halogen-containing organosulfur compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-20 US disclosed
US-8344163-B2 Nitrile compound and its use for control of arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-01 US disclosed
US-8247596-B2 Halogen-containing organosulfur compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 US disclosed
US-20110257226-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-20 US disclosed
EP-2376450-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUNDS AND USE THEREOF FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2011-10-19 EP disclosed
EP-2347653-A2 Animal ectoparasite control composition Sumitomo Chemical Company, Limited (JP) 2011-07-27 EP disclosed
US-20110160251-A1 ANIMAL ECTOPARASITE CONTROL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-30 US disclosed
US-20110021627-A1 NITRILE COMPOUND AND ITS USE FOR CONTROL OF ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-27 US disclosed
EP-2265569-A2 NITRILE COMPOUND AND ITS USE FOR CONTROL OF ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2010-12-29 EP disclosed
WO-2010074327-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUNDS AND USE THEREOF FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-01 WO disclosed
US-20100160422-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-2162429-A2 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2010-03-17 EP disclosed
WO-2009116687-A2 NITRILE COMPOUND AND ITS USE FOR CONTROL OF ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-09-24 WO disclosed
WO-2009005110-A2 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-08 WO 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-20110021627-A1 NITRILE COMPOUND AND ITS USE FOR CONTROL OF ARTHROPOD PEST C5, OR10J3, NOX3 ALDH1A1 2305/4885MAPT 4575/4885L3MBTL1 396/4885
US-20110160251-A1 ANIMAL ECTOPARASITE CONTROL COMPOSITION ADIPOR1, ADIPOR2, PLIN3 ALDH1A1 2168/4885MAPT 3152/4885L3MBTL1 1634/4885
US-20100160422-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF C5, C1S, C9 ALDH1A1 1797/4885MAPT 4801/4885L3MBTL1 17/4885
US-20110257226-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF C1S, C5, L3MBTL3 ALDH1A1 1174/4885MAPT 4580/4885L3MBTL1 4/4885

“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.