SCHEMBL7038240

SCHEMBL7038240

O=c1cc(C(F)(F)F)[nH]c(=O)n1-c1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 12/20 0.43
BCAT2 O15382 10/20 0.43
ALDH1A1 P00352 2/20 0.40
HIF1A Q16665 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
VCAM1 P19320 1/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
PGR P06401 1/20 0.36
CYP3A4 P08684 1/20 0.36
AR P10275 1/20 0.36
CYP2D6 P10635 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
SCHEMBL7681836 0.86 BCAT1 (0.42) BCAT1BCAT2ALDH1A1SMN1; SMN2CYP2C9
SCHEMBL7033756 0.83 BCAT2 (0.57) BCAT1BCAT2VCAM1MAPTCYP1A2
SCHEMBL8697055 0.82 SMN1; SMN2 (0.48) BCAT1BCAT2ALDH1A1SMN1; SMN2CYP2C9
SCHEMBL28736871 0.81 BCAT1 (0.49) BCAT1BCAT2ALDH1A1SMN1; SMN2CYP2C9
SCHEMBL6743531 0.77 BCAT1 (0.48) BCAT1BCAT2ALDH1A1MAPTPOLB
SCHEMBL7097723 0.76 BCAT1 (0.47) BCAT1BCAT2ALDH1A1SMN1; SMN2CYP2C9
SCHEMBL7690573 0.76 BCAT1 (0.50) BCAT1BCAT2ALDH1A1SMN1; SMN2CYP2C9
SCHEMBL24826936 0.73 BCAT1 (0.62) BCAT1BCAT2
SCHEMBL29779349 0.73 BCAT1 (0.62) BCAT1BCAT2
SCHEMBL9379427 0.73 BCAT1 (0.53) BCAT1BCAT2ALDH1A1SMN1; SMN2CYP2C9

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 BCAT1 555/4885BCAT2 1421/4885ALDH1A1 486/4885

“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.