SCHEMBL12988044

SCHEMBL12988044

O=C1CCCC(=O)C1C(=O)c1ccnn(-c2ccccc2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
POLB P06746 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
PAX8 Q06710 2/20 0.36
MITF O75030 1/20 0.36
S1PR4 O95977 1/20 0.36
THRB P10828 1/20 0.36
XBP1 P17861 1/20 0.36
S1PR1 P21453 1/20 0.36
MCL1 Q07820 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL15441318 0.78 ALDH1A1 (0.47) ALDH1A1LMNAGAA
SCHEMBL5717721 0.78 MAPT (0.47) KEAP1NFE2L2POLBNPC1RAB9A
SCHEMBL5189021 0.75 RIPK2 (0.55) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL12376647 0.71 PDE4A (0.49) POLBMAPTGAA
SCHEMBL13101587 0.69 RIPK1 (0.51) POLBSMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL28391996 0.68 POLB (0.50) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20916997 0.68 ALDH1A1 (0.45) NPC1RAB9AALDH1A1PAX8
SCHEMBL20917709 0.68 ALDH1A1 (0.40) POLBSMN1; SMN2ALDH1A1NPSR1
SCHEMBL169913 0.67 MCL1 (0.65) ALDH1A1MAPTHTTMCL1
SCHEMBL18083903 0.67 MAPK1 (0.34) SMN1; SMN2ALDH1A1

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
US-9439428-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2016-09-13 US disclosed
US-20150230468-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2015-08-20 US disclosed
US-9035049-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2015-05-19 US disclosed
EP-2694483-B1 HERBICIDAL COMPOUNDS SYNGENTA LTD (GB) 2015-03-04 EP disclosed
EP-2694483-A1 HERBICIDAL COMPOUNDS Syngenta Limited (GB) 2014-02-12 EP disclosed
US-20140031223-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2014-01-30 US disclosed
WO-2012136703-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2012-10-11 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-20140031223-A1 HERBICIDAL COMPOUNDS DDT, CBR3, RDX KEAP1 26/4885NFE2L2 2370/4885POLB 4033/4885
US-20150230468-A1 HERBICIDAL COMPOUNDS DDT, CBR3, RDX KEAP1 26/4885NFE2L2 2370/4885POLB 4033/4885

“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.