SCHEMBL2087239

SCHEMBL2087239

CC(C)(C)OC(=O)COc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
CHRNB2 P17787 5/20 0.46
CHRNA4 P43681 5/20 0.46
NOTUM Q6P988 1/20 0.46
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
RAB9A P51151 2/20 0.44
NAMPT P43490 1/20 0.44
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL31637595 1.00 MAPT (0.47) MAPTCHRNB2CHRNA4NOTUMCCNC
SCHEMBL6941604 0.83 SMN1; SMN2 (0.57) MAPTCHRNB2CHRNA4NOTUMCCNC
SCHEMBL2789633 0.81 PPARA (0.49) SMN1; SMN2KDM4E
SCHEMBL12622687 0.81 CHRNB2 (0.49) CHRNB2CHRNA4NOTUMCCNCCDK8
SCHEMBL1917296 0.81 CCNC (0.52) MAPTCHRNB2CHRNA4NOTUMCCNC
SCHEMBL2448079 0.80 ALOX15 (0.57) MAPTRAB9AKMT2ASMN1; SMN2
SCHEMBL6067800 0.80 TSHR (0.58) MAPTCHRNB2CHRNA4CCNCCDK8
SCHEMBL12147577 0.80 PTPN1 (0.44) MAPTRAB9AKMT2AKDM4E
SCHEMBL8299054 0.80 OPRK1 (0.42) MAPTNOTUMKMT2A
SCHEMBL12530430 0.80 CCNC (0.51) CHRNB2CHRNA4NOTUMCCNCCDK8

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163773-B2 Organic compounds NOVARTIS AG (CH) 2012-04-24 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-7687525-B2 Cell differentiation inducer BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-03-30 US disclosed
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 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
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 EP 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 (5 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 MAPT 4780/4885CHRNB2 4784/4885CHRNA4 4582/4885
US-20040147569-A1 Antitumor agents; autoimmune disease; skin disorders; anticancer agents MCL1, MYADM, PDCD1 MAPT 4816/4885CHRNB2 4879/4885CHRNA4 4855/4885
US-20090233920-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 MAPT 1008/4885CHRNB2 4156/4885CHRNA4 3220/4885
US-20100256201-A1 CELL DIFFERENTIATION INDUCER MCL1, MYADM, MYD88 MAPT 4774/4885CHRNB2 4790/4885CHRNA4 4592/4885
US-20050054647-A1 New pharmaceutical combination VEGFA, INHA, PGF MAPT 1405/4885CHRNB2 4162/4885CHRNA4 4494/4885

“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.