SCHEMBL3091085

SCHEMBL3091085

Nc1ccccc1NC(=O)/C=C/c1ccc(C(NCc2cccs2)C(=O)NC2CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.51
HDAC2 Q92769 4/20 0.51
HDAC3 O15379 3/20 0.51
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
HDAC6 Q9UBN7 1/20 0.40
LMNA P02545 3/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HDAC4 P56524 1/20 0.39
EP300 Q09472 1/20 0.39
MEF2D Q14814 1/20 0.39

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
SCHEMBL3091088 1.00 HDAC1 (0.51) HDAC1HDAC2HDAC3KDM1AMAOA
SCHEMBL3095381 0.88 HDAC1 (0.49) HDAC1HDAC2HDAC3HDAC6LMNA
SCHEMBL3095391 0.88 HDAC1 (0.49) HDAC1HDAC2HDAC3HDAC6LMNA
SCHEMBL3090371 0.88 HDAC1 (0.53) HDAC1HDAC2HDAC3KDM1AMAOA
SCHEMBL3090370 0.88 HDAC1 (0.53) HDAC1HDAC2HDAC3KDM1AMAOA
SCHEMBL3090345 0.86 HDAC1 (0.58) HDAC1HDAC2HDAC3KDM1AMAOA
SCHEMBL3090344 0.86 HDAC1 (0.58) HDAC1HDAC2HDAC3KDM1AMAOA
SCHEMBL3099374 0.85 HDAC1 (0.49) HDAC1HDAC2HDAC3KDM1AMAOA
SCHEMBL3099363 0.85 HDAC1 (0.49) HDAC1HDAC2HDAC3KDM1AMAOA
SCHEMBL3098464 0.85 HDAC1 (0.53) HDAC1HDAC2HDAC3KDM1AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.