SCHEMBL940168

SCHEMBL940168

Clc1[c]c(Cl)c2ccccc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.52
MAOB P27338 1/20 0.52
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 3/20 0.41
GLA P06280 3/20 0.41
HPGD P15428 2/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
NQO2 P16083 1/20 0.41
DRD1 P21728 1/20 0.41
ACHE P22303 1/20 0.41
SLC6A2 P23975 1/20 0.41
ADRA1A P35348 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
SCHEMBL942027 0.75 MAOA (0.44) MAOAMAOBKDM4EALDH1A1TDP1
SCHEMBL860951 0.72 GRM2 (0.43) MAOAMAOBKDM4EKMT2A
SCHEMBL455949 0.69 MAOA (1.00) MAOAMAOBKDM4EALDH1A1TDP1
SCHEMBL29389300 0.68 MAOA (0.56) MAOAMAOBKDM4EALDH1A1TDP1
SCHEMBL92707 0.68 MAOA (0.56) MAOAMAOBKDM4EALDH1A1TDP1
Hydrochloric Acid SCHEMBL28400797 0.67 MAOA (0.95) MAOAMAOBKDM4EALDH1A1TDP1
SCHEMBL15131691 0.65 MAOA (0.73) MAOAMAOBKDM4EALDH1A1TDP1
SCHEMBL516091 0.65 TDP1 (0.59) MAOAMAOBKDM4EALDH1A1TDP1
SCHEMBL4058577 0.65 MAOA (0.52) MAOAMAOBKDM4EALDH1A1TDP1
SCHEMBL1620592 0.65 DCPS (0.63) MAOAMAOBKDM4EALDH1A1TDP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254416-B1 HERBICIDAL COMPOUNDS SYNGENTA LTD (GB) 2016-09-07 EP disclosed
US-8653078-B2 Herbicidal pyrido[2,3-b]pyrazines SYNGENTA LIMITED 2014-02-18 US disclosed
US-20130137574-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2013-05-30 US disclosed
US-8338598-B2 Herbicidal pyrido[2,3-B]pyrazines and their use as herbicides SYNGENTA LIMITED 2012-12-25 US disclosed
US-20110021351-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-27 US disclosed
EP-2254416-A2 HERBICIDAL COMPOUNDS Syngenta Limited (GB) 2010-12-01 EP disclosed
WO-2009090402-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-23 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-20130137574-A1 HERBICIDAL COMPOUNDS DDT, CBR3, CBR1 MAOA 379/4885MAOB 223/4885KDM4E 2101/4885
US-20110021351-A1 HERBICIDAL COMPOUNDS DDT, CBR3, TH MAOA 158/4885MAOB 101/4885KDM4E 1221/4885

“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.