SCHEMBL2840843

SCHEMBL2840843

O=c1cc(C(F)(F)F)[nH]c(=O)n1-c1ccc(Cl)c(-c2nnn[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 14/20 0.42
BCAT2 O15382 12/20 0.42
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TSHR P16473 1/20 0.34
MDM2 Q00987 1/20 0.32

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
SCHEMBL2834114 0.83 BCAT1 (0.47) BCAT1BCAT2SMN1; SMN2ALDH1A1CYP2C9
SCHEMBL2839394 0.82 BCAT1 (0.46) BCAT1BCAT2SMN1; SMN2ALDH1A1CYP2C9
SCHEMBL2835556 0.79 NOTUM (0.30)
SCHEMBL2838083 0.79 BCAT1 (0.43) BCAT1BCAT2SMN1; SMN2
SCHEMBL1573292 0.77 BCAT1 (0.43) BCAT1BCAT2SMN1; SMN2ALDH1A1CYP2C9
SCHEMBL2832383 0.74 BCAT1 (0.43) BCAT1BCAT2SMN1; SMN2MDM2
SCHEMBL27747760 0.72 CTSB (0.42) SMN1; SMN2ALDH1A1CYP2C9CYP2C19
SCHEMBL1573401 0.72 BCAT2 (0.58) BCAT1BCAT2
SCHEMBL9274567 0.72 TDP1 (0.50) BCAT1BCAT2SMN1; SMN2ALDH1A1CYP2C9
SCHEMBL29692736 0.72 BCAT1 (0.41) BCAT1BCAT2SMN1; SMN2ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754880-B2 Uracils having a herbicidal activity ISAGRO RICERCA S.R.L. (IT) 2010-07-13 US claimed
US-20060025591-A1 New uracils having a herbicidal activity ISEM S.R.L. (IT) 2006-02-02 US claimed
US-7754880-B2 Uracils having a herbicidal activity ISAGRO RICERCA S.R.L. (IT) 2010-07-13 US disclosed
US-20060025591-A1 New uracils having a herbicidal activity ISEM S.R.L. (IT) 2006-02-02 US 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-20060025591-A1 New uracils having a herbicidal activity UNG, DDT, UMPS BCAT1 762/4885BCAT2 770/4885SMN1; SMN2 3188/4885

“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.