SCHEMBL3086730

SCHEMBL3086730

Nc1ccccc1NC(=O)C=Cc1ccc(C(NCCCN2CCOCC2)C(=O)Nc2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.74
HDAC2 Q92769 6/20 0.74
HDAC3 O15379 2/20 0.74
CCR2 P41597 1/20 0.42
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
MAOB P27338 1/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40

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
SCHEMBL3086726 1.00 HDAC1 (0.74) HDAC1HDAC2HDAC3CCR2HIF1A
SCHEMBL3095943 0.96 HDAC1 (0.81) HDAC1HDAC2HDAC3CCR2HIF1A
SCHEMBL3095931 0.96 HDAC1 (0.81) HDAC1HDAC2HDAC3CCR2HIF1A
SCHEMBL3091502 0.90 HDAC2 (0.92) HDAC1HDAC2HDAC3CCR2MAOB
SCHEMBL3091497 0.90 HDAC2 (0.92) HDAC1HDAC2HDAC3CCR2MAOB
SCHEMBL3091465 0.89 HDAC1 (0.69) HDAC1HDAC2HDAC3CCR2MAOB
SCHEMBL3091479 0.89 HDAC1 (0.69) HDAC1HDAC2HDAC3CCR2MAOB
SCHEMBL3102240 0.88 HDAC2 (0.77) HDAC1HDAC2HDAC3CCR2MAOB
SCHEMBL3102216 0.88 HDAC2 (0.77) HDAC1HDAC2HDAC3CCR2MAOB
SCHEMBL3098110 0.88 HDAC1 (0.68) HDAC1HDAC2HDAC3MAOB

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 4 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-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 (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 HDAC1 815/4885HDAC2 973/4885HDAC3 1401/4885

“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.