SCHEMBL1937100

SCHEMBL1937100

[C-]#[N+]Cc1ccc(Br)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
DHFR P00374 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
SLC6A2 P23975 1/20 0.32
CHRNB4 P30926 1/20 0.32
SLC6A4 P31645 1/20 0.32
CHRNA3 P32297 1/20 0.32

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
SCHEMBL925505 0.84 HPGD (0.35) ALDH1A1DHFRALKBH5KMT2AMEN1
SCHEMBL15195898 0.80 ALDH1A1 (0.33) ALDH1A1ALKBH5KMT2AMEN1ESR1
SCHEMBL15195881 0.77 KMT2A (0.31) ALDH1A1KMT2AMEN1ESR1ESR2
SCHEMBL10871333 0.74 TRPA1 (0.43) ALDH1A1KMT2AMEN1ESR1ESR2
SCHEMBL29427134 0.74 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1ESR1ESR2
SCHEMBL308275 0.74 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1ESR1ESR2
SCHEMBL13963069 0.73 GABRA1 (0.46) ALDH1A1KMT2AMEN1ESR1MAPT
SCHEMBL925819 0.73 GABRA1 (0.33)
SCHEMBL967725 0.72 CSNK2A1 (0.39) ALDH1A1ESR1ESR2SKP2
SCHEMBL14496740 0.72 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364235-B2 Insecticidal compounds Synenta Crop Protection LLC (US) 2019-07-30 US disclosed
US-20180065956-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2018-03-08 US disclosed
US-20180065956-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2018-03-08 US disclosed
US-9834546-B2 Insecticidal compounds SYNGENTA LIMITED (GB) 2017-12-05 US disclosed
US-9834546-B2 Insecticidal compounds SYNGENTA LIMITED (GB) 2017-12-05 US disclosed
US-20170022187-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2017-01-26 US disclosed
US-20170022187-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2017-01-26 US disclosed
US-9493445-B2 Insecticidal compounds SYNGENTA LIMITED (GB) 2016-11-15 US disclosed
US-9493445-B2 Insecticidal compounds SYNGENTA LIMITED (GB) 2016-11-15 US disclosed
US-9216973-B2 Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2015-12-22 US disclosed
US-20130165485-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2013-06-27 US disclosed
US-20130165485-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2013-06-27 US disclosed
US-20130131137-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2013-05-23 US disclosed
US-20130131137-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2013-05-23 US disclosed
EP-2445906-A1 INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2012-05-02 EP disclosed
US-20110269804-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2011-11-03 US disclosed
US-20110269804-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2011-11-03 US disclosed
EP-2331536-A1 INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2011-06-15 EP disclosed
WO-2010149506-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2010-12-29 WO disclosed
WO-2010020522-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2010-02-25 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 (6 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-20170022187-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, NIT2 ALDH1A1 261/4885DHFR 2127/4885ALKBH5 2098/4885
US-20130165485-A1 INSECTICIDAL COMPOUNDS CHRM1, CHRM2, CHRM5 ALDH1A1 1621/4885DHFR 2817/4885ALKBH5 2060/4885
US-20130131137-A1 INSECTICIDAL COMPOUNDS F5, CHRM1, CHRM2 ALDH1A1 505/4885DHFR 1841/4885ALKBH5 1145/4885
US-10364235-B2 Insecticidal compounds ACHE, CHRM1, NIT2 ALDH1A1 261/4885DHFR 2127/4885ALKBH5 2098/4885
US-20180065956-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, NIT2 ALDH1A1 261/4885DHFR 2127/4885ALKBH5 2098/4885
US-20110269804-A1 INSECTICIDAL COMPOUNDS CHRM1, CHRM2, C1R ALDH1A1 1154/4885DHFR 2386/4885ALKBH5 1256/4885

“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.