SCHEMBL2409894

SCHEMBL2409894

CC(C)(C)OC(=O)c1ccc(NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.59
KMT2A Q03164 3/20 0.59
GAA P10253 1/20 0.59
POLB P06746 1/20 0.57
NAMPT P43490 1/20 0.55
TP53 P04637 2/20 0.53
MAPT P10636 2/20 0.53
KDM1A O60341 3/20 0.52
MAOA P21397 2/20 0.52
MAOB P27338 2/20 0.52
RCOR1 Q9UKL0 2/20 0.52
SYK P43405 1/20 0.52
ELANE P08246 1/20 0.52
TPSAB1 Q15661 1/20 0.52
TPSD1 Q9BZJ3 1/20 0.52
TPSG1 Q9NRR2 1/20 0.52
MGLL Q99685 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL7477944 0.90 KMT2A (0.66) RAB9AKMT2AGAAPOLBNAMPT
SCHEMBL7043026 0.89 POLB (0.62) RAB9AKMT2AGAAPOLBTP53
SCHEMBL12348789 0.86 RAB9A (0.65) RAB9AKMT2AGAAPOLBNAMPT
SCHEMBL2705621 0.85 RAB9A (0.49) RAB9AKMT2AGAAPOLBNAMPT
SCHEMBL2705625 0.85 RAB9A (0.49) RAB9AKMT2AGAAPOLBNAMPT
SCHEMBL24848155 0.84 KMT2A (0.69) RAB9AKMT2AGAAMAPTSYK
SCHEMBL3007402 0.84 KDM1A (0.60) KDM1AMAOAMAOBRCOR1
SCHEMBL3007405 0.84 KDM1A (0.60) KDM1AMAOAMAOBRCOR1
SCHEMBL1252896 0.84 KMT2A (0.59) RAB9AKMT2AGAAPOLBNAMPT
SCHEMBL20389370 0.84 NAMPT (0.76) RAB9AKMT2AGAAPOLBNAMPT

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-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
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 RAB9A 2142/4885KMT2A 610/4885GAA 1149/4885
US-20040147569-A1 Antitumor agents; autoimmune disease; skin disorders; anticancer agents MCL1, MYADM, PDCD1 RAB9A 1640/4885KMT2A 794/4885GAA 1071/4885
US-20100256201-A1 CELL DIFFERENTIATION INDUCER MCL1, MYADM, MYD88 RAB9A 2220/4885KMT2A 598/4885GAA 1110/4885
US-20050054647-A1 New pharmaceutical combination VEGFA, INHA, PGF RAB9A 1434/4885KMT2A 2346/4885GAA 224/4885

“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.