SCHEMBL8350854

SCHEMBL8350854

Nc1ccc(OCC2CN(c3ccc(C(=O)Nc4ccccc4N)cc3)C(=O)O2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 14/20 0.55
HDAC1 Q13547 6/20 0.50
HDAC3 O15379 4/20 0.50
HDAC2 Q92769 4/20 0.50
HDAC4 P56524 3/20 0.50
HDAC7 Q8WUI4 3/20 0.50
HDAC10 Q969S8 3/20 0.50
HDAC11 Q96DB2 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
HDAC9 Q9UKV0 3/20 0.50
HDAC5 Q9UQL6 3/20 0.50

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
SCHEMBL2413563 0.94 GRM2 (0.64) GRM2HDAC1HDAC3HDAC2HDAC4
SCHEMBL2418101 0.89 GRM2 (0.50) GRM2HDAC1HDAC3HDAC2HDAC4
SCHEMBL2411651 0.87 GRM2 (0.51) GRM2HDAC1HDAC3HDAC2HDAC4
SCHEMBL2411700 0.85 HDAC1 (0.48) GRM2HDAC1HDAC3HDAC2HDAC4
SCHEMBL14640179 0.85 GRM2 (0.50) GRM2HDAC1HDAC3HDAC2HDAC4
Hydrochloric Acid SCHEMBL3949845 0.84 HDAC1 (0.51) GRM2HDAC1HDAC3HDAC2HDAC4
SCHEMBL2413811 0.84 GRM2 (0.49) GRM2HDAC1HDAC3HDAC2HDAC4
SCHEMBL12278201 0.83 HDAC1 (0.52) GRM2HDAC1HDAC3HDAC2HDAC4
Hydrochloric Acid SCHEMBL2411053 0.82 HDAC1 (0.52) GRM2HDAC1HDAC3HDAC2HDAC4
SCHEMBL8104546 0.82 GRM2 (0.61) GRM2

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 GRM2 4474/4885HDAC1 150/4885HDAC3 618/4885
US-20100256201-A1 CELL DIFFERENTIATION INDUCER MCL1, MYADM, MYD88 GRM2 4507/4885HDAC1 163/4885HDAC3 680/4885
US-20090048292-A1 SYNERGISTIC COMBINATION HDAC1, HDAC2, HDAC11 GRM2 1480/4885HDAC1 1/4885HDAC3 4/4885

“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.