SCHEMBL1960652

SCHEMBL1960652

Clc1ccc(C2=CCCC2)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.57
CHRNA4 P43681 4/20 0.57
PIK3CD O00329 1/20 0.46
CHRNA7 P36544 3/20 0.43
CHRNA3 P32297 3/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP2A6 P11509 1/20 0.43
CHRNB4 P30926 2/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
NOTUM Q6P988 1/20 0.40
PSMB5 P28074 2/20 0.39
ACMSD Q8TDX5 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
SCHEMBL25343832 0.79 PIK3CD (0.48) CHRNB2CHRNA4PIK3CDALDH1A1PDGFRB
SCHEMBL511919 0.77 SIGMAR1 (0.50) CYP1A2CYP2A6ACMSDKCNH2HRH3
SCHEMBL19482453 0.76 PSMB5 (0.44) TDP1PDGFRBPDGFRAPSMB5ACMSD
SCHEMBL29447568 0.75 ACMSD (0.39) CHRNB2CHRNA4TDP1PDGFRBPDGFRA
SCHEMBL20401017 0.75 ACMSD (0.39) CHRNB2CHRNA4TDP1PDGFRBPDGFRA
SCHEMBL31127686 0.75 SIGMAR1 (0.64) CHRNB2CHRNA4PIK3CDCHRNA7CHRNA3
SCHEMBL2379783 0.74 ACMSD (0.41) TDP1PDGFRBPDGFRAPSMB5ACMSD
SCHEMBL10001809 0.74 PSMB5 (0.50) CHRNB2CHRNA4CHRNA7CHRNA3TDP1
SCHEMBL21988028 0.74 CSF1R (0.44) PIK3CDALDH1A1TDP1PDGFRBPDGFRA
SCHEMBL14152871 0.74 ACMSD (0.51) ALDH1A1KMT2ATDP1PDGFRBPDGFRA

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2338882-B1 2-((6-(Haloalkyl substituted))pyridin-3-yl)-tetrahydro-1H-1(lamba)4-thien-1-ylidenecyanamide derivatives and related compounds as pesticides and insecticides DOW AGROSCIENCES LLC (US) 2017-06-07 EP disclosed
EP-2338882-B1 2-((6-(Haloalkyl substituted))pyridin-3-yl)-tetrahydro-1H-1(lamba)4-thien-1-ylidenecyanamide derivatives and related compounds as pesticides and insecticides DOW AGROSCIENCES LLC (US) 2017-06-07 EP disclosed
US-8188292-B2 Insecticidal N-substituted (heteroaryl)alkyl sulfilimines DOW AGROSCIENCES, LLC (US) 2012-05-29 US disclosed
US-8188292-B2 Insecticidal N-substituted (heteroaryl)alkyl sulfilimines DOW AGROSCIENCES, LLC (US) 2012-05-29 US disclosed
US-8188292-B2 Insecticidal N-substituted (heteroaryl)alkyl sulfilimines DOW AGROSCIENCES, LLC (US) 2012-05-29 US disclosed
US-8183268-B2 Heteroaryl (substituted)alkyl N-substituted sulfoximines as insecticides DOW AGROSCIENCES, LLC. (US) 2012-05-22 US disclosed
US-8183268-B2 Heteroaryl (substituted)alkyl N-substituted sulfoximines as insecticides DOW AGROSCIENCES, LLC. (US) 2012-05-22 US disclosed
US-8183268-B2 Heteroaryl (substituted)alkyl N-substituted sulfoximines as insecticides DOW AGROSCIENCES, LLC. (US) 2012-05-22 US disclosed
US-8017788-B2 Heteroaryl (substituted)alkyl N-substituted sulfoximines as insecticides DOW AGROSCIENCES LLC (US) 2011-09-13 US disclosed
US-8017788-B2 Heteroaryl (substituted)alkyl N-substituted sulfoximines as insecticides DOW AGROSCIENCES LLC (US) 2011-09-13 US disclosed
US-20080280915-A1 Insecticidal n-substituted (heteroaryl)alkyl sulfilimines CORTEVA AGRISCIENCE LLC 2008-11-13 US disclosed
US-20080280915-A1 Insecticidal n-substituted (heteroaryl)alkyl sulfilimines CORTEVA AGRISCIENCE LLC 2008-11-13 US disclosed
US-20080280915-A1 Insecticidal n-substituted (heteroaryl)alkyl sulfilimines CORTEVA AGRISCIENCE LLC 2008-11-13 US disclosed
WO-2008057131-A1 HETEROARYL (SUBSTITUTED) ALKYL N-SUBSTITUTED SULFOXIMINES AS INSECTICIDES DOW AGROSCIENCES LLC (US) 2008-05-15 WO disclosed
WO-2008057131-A1 HETEROARYL (SUBSTITUTED) ALKYL N-SUBSTITUTED SULFOXIMINES AS INSECTICIDES DOW AGROSCIENCES LLC (US) 2008-05-15 WO disclosed
US-20080108666-A1 Heteroaryl (substituted)alkyl N-substituted sulfoximines as insecticides CORTEVA AGRISCIENCE LLC 2008-05-08 US disclosed
US-20080108666-A1 Heteroaryl (substituted)alkyl N-substituted sulfoximines as insecticides CORTEVA AGRISCIENCE LLC 2008-05-08 US disclosed
US-20080108666-A1 Heteroaryl (substituted)alkyl N-substituted sulfoximines as insecticides CORTEVA AGRISCIENCE LLC 2008-05-08 US disclosed
WO-2008030266-A2 INSECTICIDAL N-SUBSTITUTED (HETEROARYL)ALKYL SULFILMINES DOW AGROSCIENCES LLC (US) 2008-03-13 WO disclosed
WO-2008030266-A2 INSECTICIDAL N-SUBSTITUTED (HETEROARYL)ALKYL SULFILMINES DOW AGROSCIENCES LLC (US) 2008-03-13 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 (2 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-20080280915-A1 Insecticidal n-substituted (heteroaryl)alkyl sulfilimines AANAT, GNMT, STS CHRNB2 1205/4885CHRNA4 1468/4885PIK3CD 3414/4885
US-20080108666-A1 Heteroaryl (substituted)alkyl N-substituted sulfoximines as insecticides STS, DDT, TST CHRNB2 978/4885CHRNA4 1252/4885PIK3CD 2488/4885

“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.