SCHEMBL6231046

SCHEMBL6231046

O=c1cc(C(F)(F)F)[nH]c(=O)n1-c1cc(O)c(Br)cc1F

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 19/20 0.50
BCAT2 O15382 17/20 0.47
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL5846798 0.84 BCAT1 (0.58) BCAT1BCAT2
SCHEMBL5393246 0.84 BCAT1 (0.54) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL24825954 0.82 BCAT1 (0.61) BCAT1BCAT2
SCHEMBL24961338 0.82 BCAT1 (0.54) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL7097723 0.80 BCAT1 (0.47) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL7235517 0.78 BCAT1 (0.52) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL7098307 0.78 BCAT1 (0.52) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL10529989 0.78 BCAT1 (0.55) BCAT1BCAT2
SCHEMBL7887437 0.78 BCAT1 (0.55) BCAT1BCAT2
SCHEMBL7668423 0.78 BCAT1 (0.54) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288185-A1 Substituted phenyluracils BAYER CROPSCIENCE AG (DE) 2005-12-29 US disclosed
EP-1592691-A1 PYRAZOLO[1,5-A][1,3,5]TRIAZINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2005-11-09 EP disclosed
EP-0984945-B1 SUBSTITUTED IMINOALKOXY-PHENYLURACILS, THE PRODUCTION AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2005-04-27 EP disclosed
EP-1511383-A1 SUBSTITUTED PHENYLURACILS Bayer CropScience Aktiengesellschaft (DE) 2005-03-09 EP disclosed
WO-2004069837-A1 PYRAZOLO`1,5-A!`1,3,5!TRIAZINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2004-08-19 WO disclosed
WO-2003099009-A1 SUBSTITUTED PHENYLURACILS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-12-04 WO disclosed
US-6245715-B1 APPLYING TO PLANT; AMINATION BAYER AKTIENGESELLSCHAFT (DE) 2001-06-12 US disclosed
EP-0984945-A1 SUBSTITUTED IMINOALKOXY-PHENYLURACILS, THE PRODUCTION AND USE THEREOF AS HERBICIDES Bayer Aktiengesellschaft (DE) 2000-03-15 EP disclosed
WO-1998054155-A1 SUBSTITUTED IMINOALKOXY-PHENYLURACILS, THE PRODUCTION AND USE THEREOF AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-12-03 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-20050288185-A1 Substituted phenyluracils DPYD, NUDT5, UMPS BCAT1 733/4885BCAT2 740/4885ALDH1A1 670/4885

“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.