SCHEMBL404300

SCHEMBL404300

Brc1ccccc1-c1nccnn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.47
MAPK1 P28482 4/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.39
RAB9A P51151 6/20 0.38
NPC1 O15118 5/20 0.38
AHR P35869 1/20 0.37
CASP6 P55212 1/20 0.36
TP53 P04637 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 3/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 2/20 0.36
IDO1 P14902 1/20 0.35
NR1H2 P55055 1/20 0.35

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
SCHEMBL8893257 0.81 PBRM1 (0.50) PBRM1MAPK1ALDH1A1LMNARAB9A
SCHEMBL28133533 0.76 CYP1A2 (0.50) MAPK1ALDH1A1RAB9ANPC1CASP6
SCHEMBL407791 0.76 NOTUM (0.43) MAPK1ALDH1A1RAB9ANPC1CASP6
SCHEMBL403090 0.76 LDHA (0.47) MAPK1ALDH1A1LMNARAB9ANPC1
SCHEMBL20657047 0.76 SMN1; SMN2 (0.46) MAPK1ALDH1A1CASP6SMN1; SMN2MAPT
SCHEMBL18920526 0.75 PBRM1 (0.59) PBRM1MAPK1ALDH1A1LMNARAB9A
SCHEMBL28457966 0.72 PBRM1 (0.47) PBRM1MAPK1ALDH1A1LMNARAB9A
SCHEMBL3386418 0.72 MEN1 (0.47) ALDH1A1CASP6GAATDP1HSD17B10
SCHEMBL18015638 0.71 PBRM1 (0.54) PBRM1MAPK1ALDH1A1LMNARAB9A
SCHEMBL6484311 0.70 NPC1 (0.52) MAPK1ALDH1A1RAB9ANPC1SMN1; SMN2

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 PBRM1 4155/4885MAPK1 2263/4885ALDH1A1 14/4885
US-20120021909-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 PBRM1 4155/4885MAPK1 2263/4885ALDH1A1 14/4885
US-20140378305-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 PBRM1 4204/4885MAPK1 2927/4885ALDH1A1 45/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 PBRM1 4155/4885MAPK1 2263/4885ALDH1A1 14/4885
US-20120028800-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 PBRM1 4155/4885MAPK1 2263/4885ALDH1A1 14/4885

“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.