Sugi Predict

Sugi Predict / Compounds / SCHEMBL3104936

SCHEMBL3104936

SCHEMBL3104936

CC(C)(C)c1ccc(NC(=O)C(NCCN2CCOCC2)c2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.86
▸ HDAC2 Q92769 3/20 0.86
▸ HDAC3 O15379 2/20 0.86
▸ ALDH1A1 P00352 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MAPK1 P28482 3/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ RAB9A P51151 1/20 0.43
▸ TNIK Q9UKE5 1/20 0.43
▸ TRPV1 Q8NER1 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HDAC4 P56524 2/20 0.42
▸ MEF2D Q14814 2/20 0.42
▸ TACR3 P29371 1/20 0.42
▸ LMNA P02545 2/20 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
SCHEMBL3104954 1.00 HDAC1 (0.86) HDAC1HDAC2HDAC3ALDH1A1KDM4E
SCHEMBL3098550 0.96 HDAC1 (0.79) HDAC1HDAC2HDAC3ALDH1A1KDM4E
SCHEMBL3098559 0.96 HDAC1 (0.79) HDAC1HDAC2HDAC3ALDH1A1KDM4E
SCHEMBL3087553 0.93 HDAC2 (1.00) HDAC1HDAC2HDAC3ALDH1A1KDM4E
SCHEMBL3087551 0.93 HDAC2 (1.00) HDAC1HDAC2HDAC3ALDH1A1KDM4E
SCHEMBL3094049 0.92 HDAC1 (0.74) HDAC1HDAC2HDAC3MAPTTNIK
SCHEMBL3094033 0.92 HDAC1 (0.74) HDAC1HDAC2HDAC3MAPTTNIK
SCHEMBL13151464 0.92 HDAC1 (0.82) HDAC1HDAC2HDAC3ALDH1A1KDM4E
SCHEMBL3099799 0.92 HDAC1 (0.82) HDAC1HDAC2HDAC3ALDH1A1KDM4E
SCHEMBL3095322 0.92 HDAC1 (0.82) HDAC1HDAC2HDAC3ALDH1A1KDM4E

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 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.