SCHEMBL2415564

SCHEMBL2415564

Nc1ccccc1NC(=O)c1ccc(CNC(=S)Nc2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.66
MAPT P10636 3/20 0.60
ALDH1A1 P00352 2/20 0.60
PKM P14618 1/20 0.60
NAMPT P43490 1/20 0.56
NPC1 O15118 1/20 0.55
POLB P06746 1/20 0.55
RAB9A P51151 1/20 0.55
HDAC3 O15379 2/20 0.54
HDAC2 Q92769 2/20 0.54
NCOR2 Q9Y618 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
THRB P10828 1/20 0.53

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
SCHEMBL2414369 0.86 HDAC1 (0.80) HDAC1NAMPTHDAC3HDAC2NCOR2
SCHEMBL28402820 0.79 HDAC1 (1.00) HDAC1NAMPTHDAC3HDAC2HDAC4
SCHEMBL28404719 0.78 HDAC1 (1.00) HDAC1NAMPTHDAC3HDAC2NCOR2
SCHEMBL2411383 0.77 HDAC1 (0.77) HDAC1MAPTALDH1A1NPC1POLB
SCHEMBL28902445 0.76 HDAC2 (0.69) HDAC1MAPTALDH1A1NPC1POLB
SCHEMBL28402859 0.76 HDAC1 (1.00) HDAC1MAPTNAMPTHDAC3HDAC2
SCHEMBL28409508 0.76 HDAC1 (0.81) HDAC1NAMPTHDAC3HDAC2NCOR2
SCHEMBL28410650 0.76 HDAC1 (1.00) HDAC1NAMPTHDAC3HDAC2NCOR2
SCHEMBL31635256 0.76 HDAC1 (0.66) HDAC1HDAC3HDAC2NCOR2HDAC4
SCHEMBL2407970 0.75 HDAC1 (0.64) HDAC1NAMPTHDAC3HDAC2NCOR2

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 17 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-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-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-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
EP-1738752-A1 Pharmaceutical combinations comprising cis-retine acid Schering Aktiengesellschaft (DE) 2007-01-03 EP disclosed
EP-1641458-A2 PHARMACEUTICAL COMBINATIONS OF PHTHALAZINE VEGF INHIBITORS AND BENZAMIDE HDAC INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2006-04-05 EP disclosed
US-20050054647-A1 New pharmaceutical combination BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-03-10 US disclosed
US-6794392-B1 Cell differentiation inducer SCHERING AKTIENGESELLSCHAFT (DE) 2004-09-21 US disclosed
US-20040147569-A1 Antitumor agents; autoimmune disease; skin disorders; anticancer agents SCHERING AKTIENGESELLSCHAFT 2004-07-29 US disclosed
WO-2004058234-A2 PHARMACEUTICAL COMBINATIONS OF PHTHALAZINE VEGF INHIBITORS AND BENZAMIDE HDAC INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2004-07-15 WO disclosed
EP-1437346-A1 Benzamide derivatives useful as cell differentiation inducers Schering AG (DE) 2004-07-14 EP disclosed
EP-0847992-B1 Benzamide derivatives, useful as cell differentiation inducers SCHERING AG (DE) 2004-06-23 EP disclosed
US-6174905-B1 AS CARCINOSTATIC AGENT TO A HEMATOLOGIC MALIGNANCY AND A SOLID CARCINOMA MITSUI CHEMICALS, INC. (JP) 2001-01-16 US disclosed
EP-0847992-A1 Benzamide derivatives, useful as cell differentiation inducers Mitsui Chemicals, Inc. (JP) 1998-06-17 EP 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 (4 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 150/4885MAPT 4780/4885ALDH1A1 312/4885
US-20040147569-A1 Antitumor agents; autoimmune disease; skin disorders; anticancer agents MCL1, MYADM, PDCD1 HDAC1 81/4885MAPT 4816/4885ALDH1A1 100/4885
US-20100256201-A1 CELL DIFFERENTIATION INDUCER MCL1, MYADM, MYD88 HDAC1 163/4885MAPT 4774/4885ALDH1A1 296/4885
US-20050054647-A1 New pharmaceutical combination VEGFA, INHA, PGF HDAC1 976/4885MAPT 1405/4885ALDH1A1 899/4885

“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.