SCHEMBL74759

SCHEMBL74759

[CH2]C=Cc1ccnc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.43
RECQL P46063 1/20 0.39
LOX P28300 1/20 0.39
LOXL3 P58215 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
TRPA1 O75762 1/20 0.36
IDO1 P14902 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMARCA2 P51531 2/20 0.33
SMARCA4 P51532 2/20 0.33
KDM1A O60341 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL74758 1.00 NFE2L2 (0.43) NFE2L2RECQLLOXLOXL3LOXL2
SCHEMBL74760 0.79 NFE2L2 (0.47) NFE2L2RECQLLOXLOXL3LOXL2
SCHEMBL4378967 0.78
SCHEMBL9000317 0.78 NFE2L2 (0.42) NFE2L2RECQLLOXLOXL3LOXL2
Ammonia Solution, Strong SCHEMBL29102875 0.77 RECQL (0.41) NFE2L2RECQLLOXLOXL3LOXL2
SCHEMBL26820529 0.76 XDH (0.48) NFE2L2RECQLLOXLOXL3LOXL2
SCHEMBL27761312 0.75 NR3C1 (0.40) NFE2L2LOXL2IDO1KDM1AHDAC1
SCHEMBL7109710 0.75 KDM1A (0.51) IDO1KDM1AHDAC1HDAC6
SCHEMBL24685822 0.75 RECQL (0.52) NFE2L2RECQLLOXLOXL3LOXL2
SCHEMBL15391335 0.75 NFE2L2 (0.40) NFE2L2RECQLLOXLOXL3LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045422-B2 Piperidine derivatives with pesticidal properties SYNGENTA PARTICIPATIONS AG (CH) 2015-06-02 US disclosed
US-8846907-B2 Spiro-condensed indoline derivatives as pesticides SYNGENTA CROP PROTECTION LLC (US) 2014-09-30 US disclosed
US-8796274-B2 Piperazine derivatives and their use in controlling pests SYNGENTA CROP PROTECTION LLC (US) 2014-08-05 US disclosed
US-20140179921-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2014-06-26 US disclosed
US-20140031378-A1 INSECTICIDAL SPIRONINDANE DERIVATIVES SYNGENTA CROP PROTECTION LLC 2014-01-30 US disclosed
US-20130310399-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-11-21 US disclosed
US-8546569-B2 Chemical compounds SYNGENTA CROP PROTECTION, INC. (US) 2013-10-01 US disclosed
US-20130197029-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2013-08-01 US disclosed
EP-1763302-B1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-03-06 EP disclosed
US-20130046091-A1 SPIRO-CONDENSED INDOLINE DERIVATIVES AS PESTICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-02-21 US disclosed
CN-101370810-A Diaza-spiro [4.5] decanes useful as pesticides SYNGENTA PARTICIPATIONS AG (CH) 2009-02-18 CN disclosed
US-20090042921-A1 SPIROINDOLINE DERIVATIVES HAVING INSECTICIDAL PROPERTIES SYNGENTA PARTICIPATIONS AG (CH) 2009-02-12 US disclosed
US-20090042859-A1 SPIRO-CONDENSED INDOLINE DERIVATIVES AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-02-12 US disclosed
US-20090042938-A1 Chemical Compounds SYNGENTA CROP PROTECTION, INC. (US) 2009-02-12 US disclosed
US-20080306101-A1 Insecticidal Spironindane Derivatives SYNGENTA PARTICIPATIONS AG (CH) 2008-12-11 US disclosed
EP-1697376-B1 SPIRO-CONDENSED INDOLINE DERIVATIVES AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-06-18 EP disclosed
US-20080076777-A1 2-chloro-N-(4-chloro-2-{4-[(E)-3-(4-chloro-phenyl)-allyl]-piperazin-1-yl}-phenyl)-isonicotinamide; for insects, acarines, nematodes and molluscs SYNGENTA CROP PROTECTION, INC. (US) 2008-03-27 US disclosed
US-20070225269-A1 Use of (3-(1-(3-Phenyl-Propenyl)-Piperidin-4-Yl)-2,3-Dihydro-Indol-1-Yl)-(Pyridin-4-Yl)-Methanonone Derivatives and Related Compounds as Insecticides SYNGENTA CROP PROTECTION, INC. 2007-09-27 US disclosed
US-20070135408-A1 Spiropiperidine derivatives for controlling pests SYNGENTA CROP PROTECTION, INC. 2007-06-14 US disclosed
CN-1894249-A Spiropiperidine derivatives for controlling pests SYNGENTA PARTICIPATIONS AG (CH) 2007-01-10 CN 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 (12 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-20090042938-A1 Chemical Compounds CHRM1, MRM1, H1-0 NFE2L2 1218/4885RECQL 464/4885LOX 824/4885
US-20130197029-A1 CHEMICAL COMPOUNDS MRM1, H1-0, RO60 NFE2L2 1211/4885RECQL 469/4885LOX 1259/4885
US-20080076777-A1 2-chloro-N-(4-chloro-2-{4-[(E)-3-(4-chloro-phenyl)-allyl]-piperazin-1-yl}-phenyl)-isonicotinamide; for insects, acarines, nematodes and molluscs CHRM1, CHRM2, CHRM5 NFE2L2 926/4885RECQL 1670/4885LOX 3055/4885
US-20090042921-A1 SPIROINDOLINE DERIVATIVES HAVING INSECTICIDAL PROPERTIES CHRM1, CHRM2, ACHE NFE2L2 684/4885RECQL 6/4885LOX 2928/4885
US-20140179921-A1 CHEMICAL COMPOUNDS H1-0, REL, ZYX NFE2L2 169/4885RECQL 1044/4885LOX 1700/4885
US-20090042859-A1 SPIRO-CONDENSED INDOLINE DERIVATIVES AS PESTICIDES CHRM1, CHRM2, RO60 NFE2L2 859/4885RECQL 13/4885LOX 1869/4885
US-20080306101-A1 Insecticidal Spironindane Derivatives NR1D1, NR1D2, NR1I3 NFE2L2 1589/4885RECQL 304/4885LOX 4022/4885
US-20070135408-A1 Spiropiperidine derivatives for controlling pests CHRM1, CHRM2, RER1 NFE2L2 1989/4885RECQL 23/4885LOX 995/4885
US-20140031378-A1 INSECTICIDAL SPIRONINDANE DERIVATIVES NR1D1, NR1D2, NR1I3 NFE2L2 1589/4885RECQL 304/4885LOX 4022/4885
US-20070225269-A1 Use of (3-(1-(3-Phenyl-Propenyl)-Piperidin-4-Yl)-2,3-Dihydro-Indol-1-Yl)-(Pyridin-4-Yl)-Methanonone Derivatives and Related Compounds as Insecticides CHRM1, NPY1R, MRM1 NFE2L2 2691/4885RECQL 97/4885LOX 1463/4885
US-20130046091-A1 SPIRO-CONDENSED INDOLINE DERIVATIVES AS PESTICIDES CHRM1, CHRM2, CHRM3 NFE2L2 929/4885RECQL 23/4885LOX 1918/4885
US-20130310399-A1 CHEMICAL COMPOUNDS ACHE, CHRM1, CHRM2 NFE2L2 2622/4885RECQL 227/4885LOX 1618/4885

“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.