SCHEMBL8348994

SCHEMBL8348994

Nc1ccccc1NC(=O)c1cc2cc(NC(=O)CCc3cccnc3)ccc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.49
NAMPT P43490 4/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
POLB P06746 1/20 0.48
KCNH2 Q12809 1/20 0.47
HDAC3 O15379 5/20 0.47
ALDH1A1 P00352 1/20 0.47
PTK2B Q14289 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PSMB8 P28062 1/20 0.46
HDAC2 Q92769 5/20 0.46
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
BLM P54132 1/20 0.45
PLAU P00749 1/20 0.45
MKNK1 Q9BUB5 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL12279261 0.95 HDAC1 (0.53) HDAC1NAMPTKMT2AMEN1NPC1
SCHEMBL8349657 0.87 HDAC1 (0.57) HDAC1NAMPTKMT2AMEN1NPC1
SCHEMBL8350096 0.86 KMT2A (0.46) HDAC1NAMPTKMT2AMEN1NPC1
SCHEMBL210696 0.86 HDAC1 (0.56) HDAC1NAMPTKMT2AMEN1NPC1
SCHEMBL8349050 0.84 NAMPT (0.49) HDAC1NAMPTKMT2AMEN1NPC1
SCHEMBL2446204 0.84 HDAC4 (0.59) HDAC1NAMPTKMT2AMEN1NPC1
SCHEMBL2415311 0.82 HDAC1 (0.70) HDAC1NAMPTKCNH2HDAC3HDAC2
SCHEMBL2410099 0.81 GAA (0.52) HDAC1NAMPTRAB9AKCNH2HDAC3
SCHEMBL8350046 0.81 HDAC1 (0.51) HDAC1KMT2AMEN1NPC1RAB9A
SCHEMBL8350011 0.77 HDAC1 (0.54) HDAC1NAMPTKCNH2HDAC3PSMB8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026239-B2 Cell differentiation inducer BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-09-27 US disclosed
US-8026239-B2 Cell differentiation inducer BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-09-27 US disclosed
US-20100256201-A1 CELL DIFFERENTIATION INDUCER BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-07 US disclosed
US-20100256201-A1 CELL DIFFERENTIATION INDUCER BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-07 US disclosed
US-7687525-B2 Cell differentiation inducer BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-03-30 US disclosed
US-7687525-B2 Cell differentiation inducer BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-03-30 US disclosed
US-RE40703-E1 Cell differentiation inducer, benzamide compounds SCHERING AKTIENGESELLSCHAFT (DE) 2009-04-28 US disclosed
US-RE40703-E1 Cell differentiation inducer, benzamide compounds SCHERING AKTIENGESELLSCHAFT (DE) 2009-04-28 US disclosed
US-20080188489-A1 Cell differentiation inducer SCHERING AKTIENGESELLSCHAFT (DE) 2008-08-07 US disclosed
US-20080188489-A1 Cell differentiation inducer SCHERING AKTIENGESELLSCHAFT (DE) 2008-08-07 US disclosed
US-7317028-B2 Cell differentiation inducer SCHERING AKTIENGESELLSCHAFT (DE) 2008-01-08 US disclosed
US-7317028-B2 Cell differentiation inducer SCHERING AKTIENGESELLSCHAFT (DE) 2008-01-08 US disclosed
US-RE39754-E1 Benzamide derivatives and pharmaceutical compositions containing same SCHERING AG (DE) 2007-07-31 US disclosed
US-RE39754-E1 Benzamide derivatives and pharmaceutical compositions containing same SCHERING AG (DE) 2007-07-31 US disclosed
EP-1738752-A1 Pharmaceutical combinations comprising cis-retine acid Schering Aktiengesellschaft (DE) 2007-01-03 EP disclosed
WO-2004058234-A2 PHARMACEUTICAL COMBINATIONS OF PHTHALAZINE VEGF INHIBITORS AND BENZAMIDE HDAC INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2004-07-15 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 (2 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-20080188489-A1 Cell differentiation inducer MCL1, MYADM, MYD88 HDAC1 150/4885NAMPT 1394/4885KMT2A 610/4885
US-20100256201-A1 CELL DIFFERENTIATION INDUCER MCL1, MYADM, MYD88 HDAC1 163/4885NAMPT 1360/4885KMT2A 598/4885

“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.