SCHEMBL967307

SCHEMBL967307

[CH2]C#CCNc1ccc(C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
HTT P42858 1/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
BLM P54132 1/20 0.41
PLEC Q15149 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.39

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 0.82 MAPT (0.59) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL968474 0.80 GRM5 (0.47) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL2229784 0.76 MAPT (0.60) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL8395286 0.73 MAPT (0.58) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL11741377 0.73 MAPT (0.58) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL7746719 0.73 MAPT (0.58) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL29712697 0.72 MAPT (0.53) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL1453806 0.72 MAPT (0.64) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL2065837 0.71 MAPT (1.00) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL7735621 0.71 MAPT (0.70) MAPTHTTMEN1KMT2AALDH1A1

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 MAPT 4575/4885HTT 4046/4885MEN1 439/4885
US-20110160251-A1 ANIMAL ECTOPARASITE CONTROL COMPOSITION ADIPOR1, ADIPOR2, PLIN3 MAPT 3152/4885HTT 367/4885MEN1 3216/4885
US-20100160422-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF C5, C1S, C9 MAPT 4801/4885HTT 962/4885MEN1 1028/4885
US-20110257226-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF C1S, C5, L3MBTL3 MAPT 4580/4885HTT 571/4885MEN1 360/4885

“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.