SCHEMBL2414545

SCHEMBL2414545

COc1cccc(C(=O)NCc2ccc(C(=O)Nc3ccccc3N)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.69
HDAC2 Q92769 8/20 0.62
HDAC3 O15379 4/20 0.62
HDAC8 Q9BY41 3/20 0.62
HDAC6 Q9UBN7 3/20 0.62
HDAC4 P56524 2/20 0.62
HDAC7 Q8WUI4 2/20 0.62
HDAC10 Q969S8 2/20 0.62
HDAC11 Q96DB2 2/20 0.62
HDAC9 Q9UKV0 2/20 0.62
HDAC5 Q9UQL6 2/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
BRD4 O60885 1/20 0.61
MMP13 P45452 2/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
NCOR1 O75376 1/20 0.58

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
SCHEMBL15685080 0.90 HDAC1 (0.67) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL2415635 0.90 HDAC1 (0.79) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL27864279 0.87 HDAC1 (0.62) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL1065094 0.85 HDAC1 (0.78) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL6243828 0.85 HDAC1 (0.76) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL5595867 0.84 HDAC1 (0.67) HDAC1HDAC2HDAC3HDAC8HDAC6
Hydrochloric Acid SCHEMBL1435432 0.84 HDAC1 (0.74) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL2415138 0.83 HDAC1 (0.63) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL15685114 0.83 HDAC2 (0.70) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL3565895 0.83 HDAC2 (0.59) HDAC1HDAC2MEN1KMT2AMMP13

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 150/4885HDAC2 170/4885HDAC3 618/4885
US-20040147569-A1 Antitumor agents; autoimmune disease; skin disorders; anticancer agents MCL1, MYADM, PDCD1 HDAC1 81/4885HDAC2 204/4885HDAC3 807/4885
US-20100256201-A1 CELL DIFFERENTIATION INDUCER MCL1, MYADM, MYD88 HDAC1 163/4885HDAC2 183/4885HDAC3 680/4885
US-20050054647-A1 New pharmaceutical combination VEGFA, INHA, PGF HDAC1 976/4885HDAC2 1101/4885HDAC3 1616/4885

“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.