SCHEMBL3082911

SCHEMBL3082911

Nc1ccccc1NC(=O)/C=C/c1ccc(C(NCCN2CCSCC2)C(=O)Nc2ccc(C(F)(F)F)cc2F)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 9/20 0.70
HDAC1 Q13547 7/20 0.70
HDAC3 O15379 6/20 0.70
MAOB P27338 1/20 0.46
CCR2 P41597 8/20 0.41
HDAC4 P56524 5/20 0.40
HDAC7 Q8WUI4 4/20 0.40
HDAC10 Q969S8 4/20 0.40
HDAC11 Q96DB2 4/20 0.40
HDAC8 Q9BY41 4/20 0.40
HDAC6 Q9UBN7 4/20 0.40
HDAC9 Q9UKV0 4/20 0.40
HDAC5 Q9UQL6 4/20 0.40
TRPA1 O75762 1/20 0.39
TRPM8 Q7Z2W7 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
SCHEMBL3082918 1.00 HDAC2 (0.70) HDAC2HDAC1HDAC3MAOBCCR2
SCHEMBL8021811 0.94 HDAC1 (0.64) HDAC2HDAC1HDAC3MAOBHDAC4
SCHEMBL3105127 0.93 HDAC2 (0.72) HDAC2HDAC1HDAC3MAOBCCR2
SCHEMBL3105143 0.93 HDAC2 (0.72) HDAC2HDAC1HDAC3MAOBCCR2
SCHEMBL3095113 0.91 HDAC2 (0.84) HDAC2HDAC1HDAC3MAOBCCR2
SCHEMBL3095127 0.91 HDAC2 (0.84) HDAC2HDAC1HDAC3MAOBCCR2
SCHEMBL3081701 0.91 HDAC1 (0.84) HDAC2HDAC1HDAC3MAOBCCR2
SCHEMBL3081705 0.91 HDAC1 (0.84) HDAC2HDAC1HDAC3MAOBCCR2
SCHEMBL3098125 0.88 HDAC1 (0.68) HDAC2HDAC1HDAC3MAOB
SCHEMBL3098110 0.88 HDAC1 (0.68) HDAC2HDAC1HDAC3MAOB

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 8 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

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 973/4885HDAC1 815/4885HDAC3 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.