SCHEMBL969348

SCHEMBL969348

[C]#CCCCC(=O)N1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.65
L3MBTL1 Q9Y468 2/20 0.55
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 3/20 0.42
HPGD P15428 3/20 0.42
RAB9A P51151 2/20 0.42
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ACHE P22303 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
SCHEMBL965819 0.98 ATM (0.63) ATML3MBTL1KMT2AMEN1TDP1
SCHEMBL966592 0.88 ATM (0.58) ATML3MBTL1KMT2AMEN1TDP1
SCHEMBL967759 0.86 ATM (0.56) ATML3MBTL1KMT2AMEN1TDP1
SCHEMBL4812057 0.80 ATM (0.65) ATML3MBTL1KMT2AMEN1TDP1
SCHEMBL31575913 0.80 ATM (0.65) ATML3MBTL1KMT2AMEN1TDP1
SCHEMBL10792 0.78 ATM (0.63) ATML3MBTL1KMT2AMEN1TDP1
SCHEMBL28366947 0.78 ATM (0.85) ATML3MBTL1KMT2AMEN1TDP1
SCHEMBL10722542 0.78 ATM (0.85) ATML3MBTL1KMT2AMEN1TDP1
SCHEMBL19574089 0.78 ATM (0.95) ATML3MBTL1KMT2AMEN1TDP1
SCHEMBL27487132 0.78 ATM (0.85) ATML3MBTL1KMT2AMEN1TDP1

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
EP-2162429-A2 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2010-03-17 EP 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 ATM 4091/4885L3MBTL1 396/4885KMT2A 2101/4885
US-20110160251-A1 ANIMAL ECTOPARASITE CONTROL COMPOSITION ADIPOR1, ADIPOR2, PLIN3 ATM 4330/4885L3MBTL1 1634/4885KMT2A 3460/4885
US-20100160422-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF C5, C1S, C9 ATM 3068/4885L3MBTL1 17/4885KMT2A 2443/4885
US-20110257226-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF C1S, C5, L3MBTL3 ATM 3906/4885L3MBTL1 4/4885KMT2A 336/4885

“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.