SCHEMBL1119960

SCHEMBL1119960

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)C=Cc1ccc(C=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.53
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MMP1 P03956 9/20 0.50
MMP2 P08253 9/20 0.50
MMP9 P14780 9/20 0.50
EGFR P00533 5/20 0.50
TNIK Q9UKE5 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TRPA1 O75762 1/20 0.48
MAPT P10636 1/20 0.48
MAOB P27338 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL1119957 1.00 TRPV1 (0.53) TRPV1HDAC3HDAC1HDAC2HDAC8
SCHEMBL3087702 0.83 TRPV1 (0.47) TRPV1HDAC3HDAC1HDAC2HDAC8
SCHEMBL3087697 0.83 TRPV1 (0.47) TRPV1HDAC3HDAC1HDAC2HDAC8
SCHEMBL1119875 0.83 TRPV1 (0.49) TRPV1HDAC3HDAC1HDAC2HDAC8
SCHEMBL1119870 0.83 TRPV1 (0.49) TRPV1HDAC3HDAC1HDAC2HDAC8
SCHEMBL2136441 0.82 HDAC1 (0.53) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL2136451 0.82 HDAC1 (0.53) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL1065454 0.82 F10 (0.49) HDAC1NPC1RAB9AMEN1KMT2A
SCHEMBL27907216 0.81 LMNA (0.44) TRPV1HDAC3HDAC1HDAC2HDAC8
SCHEMBL27949371 0.81 MAOB (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7999000-B2 N-(2-amino-phenyl)-acrylamides HOFFMANN-LA ROCHE INC. (US) 2011-08-16 US disclosed
EP-2280940-A1 NOVEL N-(2-AMINO-PHENYL)-ACRYLAMIDES F. Hoffmann-La Roche AG (CH) 2011-02-09 EP 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
WO-2009138338-A1 NOVEL N-(2-AMINO-PHENYL)-ACRYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2009-11-19 WO disclosed
US-20090286848-A1 NOVEL N-(2-AMINO-PHENYL)-ACRYLAMIDES HOFFMANN-LA ROCHE INC. 2009-11-19 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

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-20090286848-A1 NOVEL N-(2-AMINO-PHENYL)-ACRYLAMIDES MKI67, CCNA2, CCNA1 TRPV1 2738/4885HDAC3 3044/4885HDAC1 1377/4885
US-20090203681-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES MKI67, API5, BAD TRPV1 2737/4885HDAC3 1401/4885HDAC1 815/4885

“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.