SCHEMBL4446368

SCHEMBL4446368

O=C(O)CCc1cc([N+](=O)[O-])ccc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 9/20 0.52
FFAR1 O14842 7/20 0.52
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
CASP3 P42574 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
CYP2C9 P11712 2/20 0.44
SCN5A Q14524 1/20 0.44
SERPINE1 P05121 1/20 0.42
CACNA1C Q13936 1/20 0.41
FBP1 P09467 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
EIF4E P06730 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL12952842 0.79 KMT2A (0.50) MAPTMEN1TP53CASP3HTT
SCHEMBL2546218 0.77 FFAR1 (0.48) FFAR4FFAR1SERPINE1
SCHEMBL3886806 0.77 FFAR1 (0.48) FFAR4FFAR1SERPINE1
SCHEMBL13808882 0.75 MEN1 (0.49) MAPTMEN1TP53CASP3HTT
SCHEMBL1148913 0.75 AKR1C3 (0.51) MAPTMEN1TP53CASP3HTT
SCHEMBL27928952 0.75 MAPT (0.46) FFAR4MAPTMEN1TP53CASP3
SCHEMBL4008253 0.75 IP6K1 (0.45) MAPTMEN1TP53CASP3HTT
SCHEMBL4008251 0.75 IP6K1 (0.45) MAPTMEN1TP53CASP3HTT
SCHEMBL1238752 0.74 FFAR4 (0.47) FFAR4FFAR1MAPTMEN1TP53
SCHEMBL1242745 0.73 ERN1 (0.46) MAPTMEN1TP53CASP3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215899-A9 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-08-27 US disclosed
US-20080249175-A1 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-10-09 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 (2 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-20080249175-A1 N-Phenyloxamide derivatives SERPINE1, SERPINH1, F12 FFAR4 3865/4885FFAR1 1725/4885MAPT 4236/4885
US-20090215899-A9 N-Phenyloxamide derivatives SERPINE1, SERPINH1, F12 FFAR4 3865/4885FFAR1 1725/4885MAPT 4236/4885

“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.