SCHEMBL3102605

SCHEMBL3102605

Nc1ccccc1NC(=O)/C=C/c1ccc(C(Nc2cccnc2)C(=O)NC2CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.47
NAMPT P43490 1/20 0.47
HDAC4 P56524 2/20 0.45
MEF2D Q14814 2/20 0.45
C3AR1 Q16581 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HDAC2 Q92769 4/20 0.44
HDAC3 O15379 3/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL3102615 1.00 HDAC1 (0.47) HDAC1NAMPTHDAC4MEF2DC3AR1
SCHEMBL3099065 0.91 HDAC1 (0.51) HDAC1HDAC4MEF2DHDAC2HDAC3
SCHEMBL3099075 0.91 HDAC1 (0.51) HDAC1HDAC4MEF2DHDAC2HDAC3
SCHEMBL3104809 0.86 HDAC1 (0.48) HDAC1HDAC4MEF2DHDAC2HDAC3
SCHEMBL3104794 0.86 HDAC1 (0.48) HDAC1HDAC4MEF2DHDAC2HDAC3
SCHEMBL3095708 0.84 HDAC4 (0.54) HDAC1NAMPTHDAC4MEF2DHDAC2
SCHEMBL3095718 0.84 HDAC4 (0.54) HDAC1NAMPTHDAC4MEF2DHDAC2
SCHEMBL3087563 0.84 HDAC4 (0.49) HDAC1HDAC4MEF2DHDAC2HDAC3
SCHEMBL3087557 0.84 HDAC4 (0.49) HDAC1HDAC4MEF2DHDAC2HDAC3
SCHEMBL3094984 0.84 HDAC1 (0.56) HDAC1HDAC4NPC1RAB9AHDAC2

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 HDAC1 815/4885NAMPT 773/4885HDAC4 1003/4885

“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.