SCHEMBL2836047

SCHEMBL2836047

Cn1c(C(F)(F)F)cc(=O)n(-c2ccc(Cl)c(-c3nnnn3CC(=O)O)c2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
NOTUM Q6P988 3/20 0.33
P2RX7 Q99572 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
PPARG P37231 3/20 0.31
PPARD Q03181 3/20 0.31
PPARA Q07869 3/20 0.31
DOT1L Q8TEK3 1/20 0.31
NTRK1 P04629 1/20 0.30
CCR1 P32246 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL2836856 0.94 NOTUM (0.33) ALDH1A1HPGDNOTUMP2RX7BRD9
SCHEMBL2839349 0.90 BRD9 (0.38) ALDH1A1NOTUMP2RX7BRD9HSD11B1
SCHEMBL2836068 0.88 P2RX7 (0.43) ALDH1A1P2RX7
SCHEMBL2839228 0.87 NOTUM (0.33) NOTUMP2RX7BRD9HSD11B1
SCHEMBL2836866 0.87 ALDH1A1 (0.38) ALDH1A1HPGDDOT1L
SCHEMBL2835974 0.86 P2RX7 (0.43) ALDH1A1NOTUMP2RX7
SCHEMBL2833127 0.86 RAB9A (0.39) ALDH1A1NOTUMP2RX7
SCHEMBL1573904 0.85 POLB (0.37) ALDH1A1NOTUM
SCHEMBL2834932 0.85 NOTUM (0.32) NOTUMP2RX7BRD9
SCHEMBL2833836 0.85 NOTUM (0.37) ALDH1A1NOTUMBRD9HSD11B1

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-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 ALDH1A1 53/4885HPGD 2001/4885NOTUM 713/4885

“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.