SCHEMBL7098307

SCHEMBL7098307

O=c1cc(C(F)(F)F)[nH]c(=O)n1-c1ccc(Br)cc1F

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 17/20 0.52
BCAT2 O15382 15/20 0.51
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 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
SCHEMBL7235517 0.83 BCAT1 (0.52) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL29574224 0.83 BCAT1 (0.54) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL8898752 0.83 BCAT1 (0.58) BCAT1BCAT2
SCHEMBL8691597 0.83 BCAT1 (0.54) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL24825626 0.82 BCAT1 (0.57) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL9115507 0.80 BCAT1 (0.59) BCAT1BCAT2ALDH1A1
SCHEMBL9379427 0.80 BCAT1 (0.53) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL25427552 0.80 BCAT1 (0.62) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL7668423 0.80 BCAT1 (0.54) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL24824019 0.79 BCAT1 (0.65) BCAT1BCAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030032807-A1 Method for the production of 1-amino -3-aryl -uracils BAYER AKTIENGESELLSCHAFT (DE) 2003-02-13 US disclosed
US-4859229-A HERBICIDES HOFFMANN-LA ROCHE INC. (US) 1989-08-22 US disclosed
EP-0255047-A1 3-Aryl uraciles and their use as herbicides CIBA-GEIGY AG (CH) 1988-02-03 EP 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-20030032807-A1 Method for the production of 1-amino -3-aryl -uracils NQO2, QARS1, NUDT1 BCAT1 378/4885BCAT2 451/4885ALDH1A1 871/4885

“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.