SCHEMBL965714

SCHEMBL965714

[CH2]CC#CCN1CCCCC1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.70
CHRM1 P11229 9/20 0.47
CHRM2 P08172 8/20 0.47
CHRM4 P08173 8/20 0.47
CHRM5 P08912 8/20 0.47
CHRM3 P20309 8/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL964866 0.97 LMNA (0.74) LMNACHRM1CHRM2CHRM4CHRM5
SCHEMBL9733197 0.87 LMNA (0.93) LMNACHRM1CHRM2CHRM4CHRM5
SCHEMBL892987 0.84 LMNA (1.00) LMNACHRM1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL3757253 0.81 LMNA (0.93) LMNACHRM1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL9093331 0.81 LMNA (0.93) LMNACHRM1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL6081619 0.81 LMNA (0.93) LMNACHRM1CHRM2CHRM4CHRM5
SCHEMBL968051 0.77 LMNA (0.65) LMNACHRM1CHRM2CHRM4CHRM5
SCHEMBL13937604 0.77 LMNA (0.65) LMNACHRM1CHRM2CHRM4CHRM5
SCHEMBL17392944 0.76 POLB (0.50) LMNA
SCHEMBL3168002 0.76 LMNA (0.72) LMNACHRM1CHRM2CHRM4CHRM5

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 LMNA 1784/4885CHRM1 35/4885CHRM2 133/4885
US-20110160251-A1 ANIMAL ECTOPARASITE CONTROL COMPOSITION ADIPOR1, ADIPOR2, PLIN3 LMNA 2266/4885CHRM1 1968/4885CHRM2 1181/4885
US-20100160422-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF C5, C1S, C9 LMNA 4287/4885CHRM1 69/4885CHRM2 133/4885
US-20110257226-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF C1S, C5, L3MBTL3 LMNA 4264/4885CHRM1 143/4885CHRM2 290/4885

“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.