SCHEMBL8348339

SCHEMBL8348339

CC(NCc1cccnc1)C(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.70
NAMPT P43490 4/20 0.70
HTT P42858 2/20 0.59
LMNA P02545 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
HDAC3 O15379 4/20 0.56
HDAC2 Q92769 4/20 0.56
HDAC4 P56524 3/20 0.56
HDAC7 Q8WUI4 3/20 0.56
HDAC10 Q969S8 3/20 0.56
HDAC11 Q96DB2 3/20 0.56
HDAC8 Q9BY41 3/20 0.56
HDAC6 Q9UBN7 3/20 0.56
HDAC9 Q9UKV0 3/20 0.56
HDAC5 Q9UQL6 3/20 0.56
KDM1A O60341 1/20 0.56
CYP3A4 P08684 1/20 0.56
F3 P13726 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
EPHA2 P29317 1/20 0.55

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
SCHEMBL2411309 0.83 HDAC1 (0.63) HDAC1NAMPTHTTLMNANPSR1
SCHEMBL28405903 0.83 HDAC1 (1.00) HDAC1NAMPTHDAC3HDAC2HDAC4
SCHEMBL2409431 0.82 HDAC1 (0.82) HDAC1NAMPTHTTHDAC3HDAC2
SCHEMBL2418733 0.81 HDAC1 (0.74) HDAC1NAMPTHDAC3HDAC2HDAC4
Hydrochloric Acid SCHEMBL2420198 0.79 HDAC1 (0.72) HDAC1NAMPTHDAC3HDAC2HDAC4
SCHEMBL2415311 0.79 HDAC1 (0.70) HDAC1NAMPTHDAC3HDAC2HDAC4
SCHEMBL2412421 0.78 HDAC1 (0.84) HDAC1NAMPTHDAC3HDAC2HDAC4
SCHEMBL2412755 0.78 HTT (0.57) HDAC1NAMPTHTTHDAC3HDAC2
SCHEMBL8348147 0.78 HDAC1 (0.61) HDAC1NAMPTHDAC3HDAC2HDAC4
SCHEMBL8349223 0.78 HDAC1 (0.72) HDAC1NAMPTHDAC3HDAC2HDAC4

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 18 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-20090048292-A1 SYNERGISTIC COMBINATION BAYER SCHERING PHARMA AG (DE) 2009-02-19 US disclosed
US-20090048292-A1 SYNERGISTIC COMBINATION BAYER SCHERING PHARMA AG (DE) 2009-02-19 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 (3 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 1394/4885HTT 4821/4885
US-20100256201-A1 CELL DIFFERENTIATION INDUCER MCL1, MYADM, MYD88 HDAC1 163/4885NAMPT 1360/4885HTT 4810/4885
US-20090048292-A1 SYNERGISTIC COMBINATION HDAC1, HDAC2, HDAC11 HDAC1 1/4885NAMPT 647/4885HTT 3550/4885

“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.