SCHEMBL3091497

SCHEMBL3091497

Nc1ccccc1NC(=O)/C=C/c1ccc(C(NCCCN2CCOCC2)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.92

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 3/20 0.92
HDAC3 O15379 2/20 0.92
HDAC1 Q13547 2/20 0.92
MAOB P27338 1/20 0.46
CCR2 P41597 1/20 0.44
TACR2 P21452 3/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
EPHX2 P34913 5/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TRPV4 Q9HBA0 1/20 0.42

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
SCHEMBL3091502 1.00 HDAC2 (0.92) HDAC2HDAC3HDAC1MAOBCCR2
SCHEMBL3087553 0.96 HDAC2 (1.00) HDAC2HDAC3HDAC1MAOBCCR2
SCHEMBL3087551 0.96 HDAC2 (1.00) HDAC2HDAC3HDAC1MAOBCCR2
SCHEMBL3098550 0.93 HDAC1 (0.79) HDAC2HDAC3HDAC1TACR2ALDH1A1
SCHEMBL3098559 0.93 HDAC1 (0.79) HDAC2HDAC3HDAC1TACR2ALDH1A1
SCHEMBL8027039 0.92 HDAC1 (0.77) HDAC2HDAC3HDAC1ALDH1A1GAA
SCHEMBL3102240 0.91 HDAC2 (0.77) HDAC2HDAC3HDAC1MAOBCCR2
SCHEMBL3102216 0.91 HDAC2 (0.77) HDAC2HDAC3HDAC1MAOBCCR2
SCHEMBL3090531 0.91 HDAC1 (0.76) HDAC2HDAC3HDAC1ALDH1A1GAA
SCHEMBL3091521 0.91 HDAC1 (0.76) HDAC2HDAC3HDAC1CCR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HDAC2 973/4885HDAC3 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.