SCHEMBL407791

SCHEMBL407791

Fc1ccccc1-c1nccnn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
CASP6 P55212 1/20 0.42
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 5/20 0.38
NISCH Q9Y2I1 1/20 0.38
RAB9A P51151 3/20 0.37
KMT2A Q03164 3/20 0.37
PKM P14618 3/20 0.37
ATM Q13315 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
MEN1 O00255 2/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 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
SCHEMBL31517695 0.81 NPC1 (0.46) NOTUMKDM4EALDH1A1NPC1NISCH
SCHEMBL4400229 0.81 NPC1 (0.46) NOTUMKDM4EALDH1A1NPC1NISCH
SCHEMBL27579593 0.78 GABRA1 (0.36) CASP6NPC1RAB9AGABRG2GABRB3
SCHEMBL31674439 0.77 NUDT1 (0.42) CASP6GABRG2GABRB3GABRA5GABRA3
SCHEMBL8373703 0.77 NOTUM (0.47) NOTUMKDM4EALDH1A1NPC1NISCH
SCHEMBL28133533 0.76 CYP1A2 (0.50) CASP6ALDH1A1NPC1NISCHRAB9A
SCHEMBL20657047 0.76 SMN1; SMN2 (0.46) CASP6ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL404300 0.76 PBRM1 (0.47) CASP6KDM4EALDH1A1NPC1RAB9A
SCHEMBL403090 0.76 LDHA (0.47) NOTUMKDM4EALDH1A1NPC1RAB9A
SCHEMBL27762877 0.76 CYP1A2 (0.54) KDM4EALDH1A1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP claimed
EP-2387569-B1 HERBCIDES SYNGENTA LTD (GB) 2016-06-15 EP claimed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US claimed
US-8865623-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and method of controlling weeds SYNGENTA LIMITED (GB) 2014-10-21 US claimed
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP disclosed
EP-2387569-B1 HERBCIDES SYNGENTA LTD (GB) 2016-06-15 EP disclosed
US-9102642-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and methods of controlling weeds SYNGENTA LIMITED (GB) 2015-08-11 US disclosed
EP-2393796-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2015-02-25 EP disclosed
US-20140378305-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2014-12-25 US disclosed
EP-2393769-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2014-12-10 EP disclosed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
US-8865623-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and method of controlling weeds SYNGENTA LIMITED (GB) 2014-10-21 US disclosed
US-8680339-B2 Herbicides SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-20120028800-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-02-02 US disclosed
US-20120021912-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
US-20120021909-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
US-20120021907-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US 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 (5 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-20120021912-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 NOTUM 311/4885CASP6 1421/4885KDM4E 1092/4885
US-20120021909-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 NOTUM 311/4885CASP6 1421/4885KDM4E 1092/4885
US-20140378305-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 NOTUM 432/4885CASP6 1209/4885KDM4E 712/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 NOTUM 311/4885CASP6 1421/4885KDM4E 1092/4885
US-20120028800-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 NOTUM 311/4885CASP6 1421/4885KDM4E 1092/4885

“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.