SCHEMBL16637730

SCHEMBL16637730

O=C(Nc1cc(C(F)(F)F)ccn1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.46
KDR P35968 1/20 0.45
CLK2 P49760 1/20 0.45
IRAK1 P51617 1/20 0.45
NEK4 P51957 1/20 0.45
MAP4K2 Q12851 1/20 0.45
HIPK4 Q8NE63 1/20 0.45
SRPK1 Q96SB4 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
MAP3K20 Q9NYL2 1/20 0.45
STK17A Q9UEE5 1/20 0.45
MAP4K5 Q9Y4K4 1/20 0.45
GAA P10253 2/20 0.45
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RIOK2 Q9BVS4 1/20 0.44
KIF11 P52732 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 2/20 0.42

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
SCHEMBL66426 0.83 RIOK2 (0.55) KDRCLK2IRAK1NEK4MAP4K2
SCHEMBL24220349 0.82 KDR (0.47) KDRCLK2IRAK1NEK4MAP4K2
SCHEMBL28954009 0.82 MAPT (0.53) RAB9AALDH1A1POLBMAPTMEN1
SCHEMBL24220353 0.81 KDR (0.47) KDRCLK2IRAK1NEK4MAP4K2
SCHEMBL24220350 0.80 KDR (0.51) KDRCLK2IRAK1NEK4MAP4K2
SCHEMBL12435446 0.79 P2RX1 (0.57) RAB9AGAAKIF11MAPTMEN1
SCHEMBL537486 0.79 KMT2A (0.54) GAAALDH1A1POLBMAPTMEN1
SCHEMBL8533351 0.79 MAPT (0.64) RAB9AGAAALDH1A1KIF11MAPT
SCHEMBL4330869 0.78 GCK (0.55) RAB9AGAAALDH1A1POLBMAPT
SCHEMBL10308069 0.78 ABCG2 (0.54) RAB9AGAAPOLBMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11608323-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2023-03-21 US disclosed
EP-3054773-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2022-01-26 EP disclosed
CN-111961033-A Herbicidal compounds 先正达参股股份有限公司 2020-11-20 CN disclosed
US-20190112288-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-04-18 US disclosed
US-20160264547-A1 Herbicidal Compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-09-15 US disclosed
US-20160264547-A1 Herbicidal Compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-09-15 US disclosed
US-20160264547-A1 Herbicidal Compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-09-15 US disclosed
EP-3054773-A1 HERBICIDAL COMPOUNDS Syngenta Participations AG (CH) 2016-08-17 EP disclosed
WO-2015052076-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-04-16 WO disclosed
WO-2015052076-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-04-16 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 (3 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-20190112288-A1 HERBICIDAL COMPOUNDS DDT, RDX, CBR3 RAB9A 1800/4885KDR 2800/4885CLK2 3470/4885
US-20160264547-A1 Herbicidal Compounds DDT, RDX, CBR3 RAB9A 1754/4885KDR 3028/4885CLK2 3581/4885
US-11608323-B2 Herbicidal compounds DDT, RDX, CBR3 RAB9A 1800/4885KDR 2800/4885CLK2 3470/4885

“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.