SCHEMBL965474

SCHEMBL965474

[C]#CCCCN1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.56
MAPT P10636 2/20 0.50
CYP1A2 P05177 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 2/20 0.38
SIGMAR1 Q99720 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL968015 0.98 HRH3 (0.52) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL4416469 0.93 HRH3 (0.61) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL4420612 0.91 MAPT (0.61) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL968654 0.85 HRH3 (0.48) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL967274 0.82
SCHEMBL17393158 0.77 KEAP1 (0.54) HRH3CYP1A2MAPK1SMN1; SMN2POLB
SCHEMBL4813915 0.76 HRH3 (0.56) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL15740982 0.76 HRH3 (0.56) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL150332 0.76 MAPT (0.83) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL154378 0.76 MAPT (0.83) HRH3MAPTCYP1A2MAPK1SMN1; 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102333760-B Halogen-containing organosulfur compounds and use thereof for controlling arthropod pest SUMITOMO CHEMICAL CO 2014-04-09 CN disclosed
CN-102036951-B Nitrile compound and its use for control of arthropod pest SUMITOMO CHEMICAL CO 2014-02-19 CN disclosed
CN-101790511-B Halogen-containing organosulfur compounds and uses thereof SUMITOMO CHEMICAL CO 2013-12-11 CN disclosed
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
CN-102333760-A Halogen-containing organosulfur compounds and use thereof for controlling arthropod pest SUMITOMO CHEMICAL CO 2012-01-25 CN 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
CN-102036951-A Nitrile compound and its use for control of arthropod pest SUMITOMO CHEMICAL CO 2011-04-27 CN 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
CN-101790511-A Halogen-containing organosulfur compounds and uses thereof SUMITOMO CHEMICAL CO 2010-07-28 CN 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 HRH3 241/4885MAPT 4575/4885CYP1A2 385/4885
US-20110160251-A1 ANIMAL ECTOPARASITE CONTROL COMPOSITION ADIPOR1, ADIPOR2, PLIN3 HRH3 3479/4885MAPT 3152/4885CYP1A2 1206/4885
US-20100160422-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF C5, C1S, C9 HRH3 82/4885MAPT 4801/4885CYP1A2 645/4885
US-20110257226-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF C1S, C5, L3MBTL3 HRH3 231/4885MAPT 4580/4885CYP1A2 604/4885

“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.