SCHEMBL1155397

SCHEMBL1155397

COCOCC(=O)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.50
KMT2A Q03164 3/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
USP2 O75604 1/20 0.47
L3MBTL1 Q9Y468 6/20 0.46
MAPT P10636 4/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
KDM4E B2RXH2 1/20 0.44
KCNH2 Q12809 1/20 0.42

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
SCHEMBL1154812 0.85 GSK3B (0.57) GSK3BKMT2ALMNAMEN1ALDH1A1
SCHEMBL1930256 0.81 NPC1 (0.50) GSK3BKMT2ALMNAMEN1ALDH1A1
SCHEMBL10432798 0.81 MAPT (0.50) GSK3BLMNAALDH1A1MAPTNPC1
SCHEMBL3866097 0.80 MAPT (0.57) KMT2ALMNAMEN1ALDH1A1L3MBTL1
SCHEMBL28841619 0.77 MMP1 (0.56) GSK3BKMT2ALMNAMEN1ALDH1A1
SCHEMBL27460394 0.77 GSK3B (0.54) GSK3BKMT2AMEN1ALDH1A1MAPT
SCHEMBL1155564 0.74 ALDH1A1 (0.62) GSK3BKMT2ALMNAMEN1ALDH1A1
SCHEMBL1712196 0.74 GSK3B (0.48) GSK3BKMT2ALMNAMEN1ALDH1A1
SCHEMBL9139245 0.73 GSK3B (0.52) GSK3BKMT2ALMNAMEN1ALDH1A1
SCHEMBL6328277 0.72 MAPT (0.64) GSK3BKMT2ALMNAMEN1ALDH1A1

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
EP-3121176-A1 2,4-DIAMINOQUINAZOLINES FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY Families of Spinal Muscular Atrophy (US) 2017-01-25 EP disclosed
EP-1765810-B1 2,4-DIAMINOQUINAZOLINES FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2016-08-17 EP disclosed
EP-2514748-B1 2,4-diaminoquinazolines for spinal muscular atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2016-08-10 EP disclosed
US-20160152577-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2016-06-02 US disclosed
US-9067897-B2 2,4-Diaminoquinazolines for spinal muscular atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2015-06-30 US disclosed
EP-2514748-A1 2,4-diaminoquinazolines for spinal muscular atrophy Families of Spinal Muscular Atrophy (US) 2012-10-24 EP disclosed
US-20110112118-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2011-05-12 US disclosed
US-7888366-B2 2,4-diaminoquinazolines for spinal muscular atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2011-02-15 US disclosed
EP-1765810-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY Decode Chemistry, Inc. (US) 2007-03-28 EP disclosed
EP-0841925-B1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2006-10-04 EP disclosed
WO-2005123724-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY DECODE CHEMISTRY, INC. (US) 2005-12-29 WO disclosed
US-6482956-B2 FOR THERAPY OF CARDIOVASCULAR, CEREBROVASCULAR, RESPIRATORY AND RENAL DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-11-19 US disclosed
US-20020072614-A1 Endothelin receptor antagonists LUENGO JUAN IGNACIO (US) 2002-06-13 US disclosed
US-6353116-B1 Endothelin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-03-05 US disclosed
EP-0841925-A4 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2001-10-17 EP disclosed
US-6096897-A NOVEL 1,2,3-TRIAZOLES SMITHKLINE BEECHAM CORPORATION (US) 2000-08-01 US disclosed
US-5969151-A PYRAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1999-10-19 US disclosed
US-5958968-A CARDIOVASCULAR DISORDERS; KIDNEY DIEASES SMITHKLINE BEECHAM CORPORATION (US) 1999-09-28 US disclosed
EP-0841925-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-05-20 EP disclosed
WO-1997004772-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-02-13 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-20110112118-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy SMN1; SMN2, MUSK, MYO3B GSK3B 2837/4885KMT2A 91/4885LMNA 523/4885
US-20160152577-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy SMN1; SMN2, MUSK, MYO3B GSK3B 2837/4885KMT2A 91/4885LMNA 523/4885
US-20020072614-A1 Endothelin receptor antagonists EDNRA, EDNRB, ECE1 GSK3B 4124/4885KMT2A 4412/4885LMNA 2964/4885

“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.