SCHEMBL7097723

SCHEMBL7097723

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 16/20 0.47
BCAT2 O15382 14/20 0.44
MAPT P10636 2/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL28736871 0.86 BCAT1 (0.49) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL7690573 0.86 BCAT1 (0.50) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL6231046 0.80 BCAT1 (0.50) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL5846798 0.80 BCAT1 (0.58) BCAT1BCAT2
SCHEMBL7680274 0.78 BCAT1 (0.52) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL24961338 0.78 BCAT1 (0.54) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL24825954 0.78 BCAT1 (0.61) BCAT1BCAT2
SCHEMBL7038240 0.76 BCAT1 (0.43) BCAT1BCAT2MAPTALDH1A1CYP2C9
SCHEMBL8408460 0.75 MAPT (0.41) MAPTPKMMAPK1ALDH1A1CYP2C9
SCHEMBL7095909 0.75 MAPT (0.41) MAPTPKMMAPK1ALDH1A1

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 451/4885MAPT 4832/4885

“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.