SCHEMBL967844

SCHEMBL967844

[C]#CCC(=O)N1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BPTF Q12830 1/20 0.38
NPC1 O15118 2/20 0.37
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
DPP4 P27487 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 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
SCHEMBL970310 0.98 ATM (0.48) ATMALDH1A1SMN1; SMN2L3MBTL1GAA
SCHEMBL3082368 0.78 ATM (0.52) ATMALDH1A1SMN1; SMN2L3MBTL1GAA
SCHEMBL20275450 0.78 ATM (0.52) ATMALDH1A1SMN1; SMN2L3MBTL1GAA
SCHEMBL966592 0.77 ATM (0.58) ATMALDH1A1SMN1; SMN2L3MBTL1GAA
SCHEMBL1894338 0.76 ATM (0.50) ATMALDH1A1SMN1; SMN2L3MBTL1GAA
SCHEMBL967759 0.76 ATM (0.56) ATMALDH1A1SMN1; SMN2L3MBTL1GAA
SCHEMBL11250885 0.74 ATM (0.48) ATMALDH1A1SMN1; SMN2L3MBTL1GAA
SCHEMBL16803442 0.74 ATM (0.48) ATMALDH1A1SMN1; SMN2L3MBTL1GAA
SCHEMBL1002719 0.74 ATM (0.48) ATMALDH1A1SMN1; SMN2L3MBTL1GAA
SCHEMBL969348 0.74 ATM (0.65) ATMALDH1A1SMN1; SMN2L3MBTL1TDP1

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 10 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-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
US-20100160422-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 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 (5 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 ATM 4091/4885ALDH1A1 2305/4885SMN1; SMN2 2078/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 ATM 2599/4885ALDH1A1 171/4885SMN1; SMN2 4048/4885
US-20110160251-A1 ANIMAL ECTOPARASITE CONTROL COMPOSITION ADIPOR1, ADIPOR2, PLIN3 ATM 4330/4885ALDH1A1 2168/4885SMN1; SMN2 2653/4885
US-20100160422-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF C5, C1S, C9 ATM 3068/4885ALDH1A1 1797/4885SMN1; SMN2 3169/4885
US-20110257226-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF C1S, C5, L3MBTL3 ATM 3906/4885ALDH1A1 1174/4885SMN1; SMN2 2903/4885

“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.