SCHEMBL3095661

SCHEMBL3095661

O=C(Nc1ccc(C(F)(F)F)cc1)C(O)c1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
S1PR3 Q99500 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
KIF11 P52732 1/20 0.45
CNR1 P21554 1/20 0.45
TGM2 P21980 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TRPV1 Q8NER1 2/20 0.43

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
SCHEMBL10076541 0.87 MEN1 (0.59) MEN1KMT2AS1PR3SMN1; SMN2CNR1
SCHEMBL31202655 0.85 SMN1; SMN2 (0.53) EPHX2CES2CES1MEN1KMT2A
SCHEMBL29521458 0.85 RAB9A (0.59) EPHX2CES2CES1MEN1KMT2A
SCHEMBL31202580 0.85 RAB9A (0.55) EPHX2CES2CES1MEN1KMT2A
SCHEMBL31202661 0.83 MEN1 (0.53) MEN1KMT2AS1PR3SMN1; SMN2CNR1
SCHEMBL31202714 0.80 MAPT (0.58) MEN1KMT2AS1PR3SMN1; SMN2CNR1
SCHEMBL8027120 0.80 ALDH1A1 (0.46) EPHX2MEN1KMT2AS1PR3SMN1; SMN2
SCHEMBL31202603 0.80 MEN1 (0.63) MEN1KMT2AS1PR3SMN1; SMN2CNR1
SCHEMBL1371077 0.76 TRPV1 (0.71) EPHX2MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4875475 0.76 ACP1 (0.52) EPHX2KMT2ASMN1; SMN2PSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101925573-A Novel N-(2-amino-phenyl)-amide derivatives HOFFMANN LA ROCHE 2010-12-22 CN disclosed
EP-2238103-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-10-13 EP disclosed
US-7795315-B2 N-(2-amino-phenyl)-amide derivatives HOFFMAN-LA ROCHE INC. (US) 2010-09-14 US disclosed
US-7795315-B2 N-(2-amino-phenyl)-amide derivatives HOFFMAN-LA ROCHE INC. (US) 2010-09-14 US disclosed
US-7795315-B2 N-(2-amino-phenyl)-amide derivatives HOFFMAN-LA ROCHE INC. (US) 2010-09-14 US disclosed
US-20090203681-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-13 US disclosed
US-20090203681-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-13 US disclosed
US-20090203681-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-13 US disclosed
WO-2009095324-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-06 WO disclosed
WO-2009095324-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-06 WO 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-20090203681-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES MKI67, API5, BAD EPHX2 3045/4885CES2 3823/4885CES1 2680/4885

“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.