SCHEMBL3099804

SCHEMBL3099804

Nc1ccccc1NC(=O)/C=C/c1ccc(CC(=O)N(Cc2ccccc2)NCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 18/20 0.62
▸ HDAC2 Q92769 2/20 0.55
▸ KDM1A O60341 1/20 0.55
▸ MAOA P21397 1/20 0.55
▸ HDAC4 P56524 1/20 0.52
▸ EP300 Q09472 1/20 0.52
▸ MEF2D Q14814 1/20 0.52
▸ HDAC3 O15379 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL3090365 0.81 HDAC1 (0.56) HDAC1HDAC2KDM1AMAOAHDAC4
SCHEMBL3098397 0.78 HDAC1 (0.62) HDAC1HDAC2KDM1AMAOAHDAC4
SCHEMBL1065916 0.77 HDAC1 (1.00) HDAC1HDAC2KDM1AMAOAHDAC4
SCHEMBL8348764 0.77 HDAC1 (1.00) HDAC1HDAC2KDM1AMAOAHDAC4
SCHEMBL1065917 0.77 HDAC1 (1.00) HDAC1HDAC2KDM1AMAOAHDAC4
SCHEMBL8348236 0.77 HDAC1 (0.74) HDAC1HDAC2KDM1AMAOAHDAC4
SCHEMBL3095612 0.76 HDAC1 (0.59) HDAC1HDAC2KDM1AMAOAHDAC4
SCHEMBL8348228 0.75 HDAC1 (0.71) HDAC1HDAC2KDM1AMAOAHDAC4
SCHEMBL3082983 0.75 HDAC1 (0.53) HDAC1HDAC2KDM1AMAOA
SCHEMBL3099073 0.75 HDAC1 (0.58) HDAC1HDAC2KDM1AMAOAHDAC4

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 973/4885KDM1A 4012/4885

“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.

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