SCHEMBL7033756

SCHEMBL7033756

N#Cc1ccc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 17/20 0.57
BCAT1 P54687 17/20 0.57
VCAM1 P19320 1/20 0.42
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
GRIA4 P48058 1/20 0.40

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
SCHEMBL7681836 0.82 BCAT1 (0.42) BCAT2BCAT1CYP1A2MAPTALOX15
SCHEMBL24826936 0.82 BCAT1 (0.62) BCAT2BCAT1
SCHEMBL29779349 0.82 BCAT1 (0.62) BCAT2BCAT1
SCHEMBL8188639 0.81 BCAT2 (0.61) BCAT2BCAT1
SCHEMBL7038819 0.78 BCAT1 (0.72) BCAT2BCAT1
SCHEMBL8697055 0.78 SMN1; SMN2 (0.48) BCAT2BCAT1CYP1A2MAPT
SCHEMBL8776052 0.77 VCAM1 (0.47) BCAT2BCAT1VCAM1CYP1A2MAPT
SCHEMBL6920290 0.76 VCAM1 (0.41) BCAT2BCAT1VCAM1CYP1A2MAPT
SCHEMBL7959029 0.75 BCAT1 (0.59) BCAT2BCAT1
SCHEMBL6815503 0.75 BCAT1 (0.54) BCAT2BCAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6656884-B2 Use as herbicides or for the desiccation or defoliation of plants BASF AKTIENGESELLSCHAFT (DE) 2003-12-02 US disclosed
US-20030181335-A1 Novel 3- (4-cyanophenyl) uracils KLINTZ RALF (DE) 2003-09-25 US disclosed
EP-0808310-B1 3-(4-CYANOPHENYL)URACILS BASF AG (DE) 2002-01-02 EP disclosed
EP-0808310-A1 NOVEL 3-(4-CYANOPHENYL)URACILS BASF AKTIENGESELLSCHAFT (DE) 1997-11-26 EP disclosed
WO-1996024590-A1 NOVEL 3-(4-CYANOPHENYL)URACILS BASF AKTIENGESELLSCHAFT (DE) 1996-08-15 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 (1 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-20030181335-A1 Novel 3- (4-cyanophenyl) uracils CBR1, CBR3, AOC3 BCAT2 1421/4885BCAT1 555/4885VCAM1 3097/4885

“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.