SCHEMBL1554618

SCHEMBL1554618

CCOC(=O)C(C#N)=C(C)c1cccc(OC)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
MAPT P10636 4/20 0.52
ALDH1A1 P00352 4/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MAPK1 P28482 2/20 0.52
PKM P14618 1/20 0.52
XBP1 P17861 1/20 0.52
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
THRB P10828 1/20 0.47
PARP1 P09874 1/20 0.47
HPGD P15428 2/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.45
PPARG P37231 1/20 0.45

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
SCHEMBL1554616 1.00 NPC1 (0.52) NPC1RAB9AMAPTALDH1A1NPSR1
SCHEMBL11669329 0.87 AKR1C3 (0.49) NPC1RAB9AMAPTALDH1A1MAPK1
SCHEMBL1553317 0.86 HPGD (0.43) NPC1RAB9AMAPTALDH1A1NPSR1
SCHEMBL1553318 0.86 HPGD (0.43) NPC1RAB9AMAPTALDH1A1NPSR1
SCHEMBL1553875 0.85 CYP19A1 (0.50) NPC1RAB9AMAPTALDH1A1CES2
SCHEMBL9180325 0.85 CYP19A1 (0.50) NPC1RAB9AMAPTALDH1A1CES2
SCHEMBL1553877 0.85 CYP19A1 (0.50) NPC1RAB9AMAPTALDH1A1CES2
SCHEMBL1554668 0.84 MAPT (0.43) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL1554666 0.84 MAPT (0.43) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL23332379 0.83 CES2 (0.54) NPC1RAB9AMAPTALDH1A1MAPK1

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
EP-2512242-B1 NOVEL COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2015-09-30 EP disclosed
US-9029545-B2 Thienopyridine NOX2 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2015-05-12 US disclosed
EP-2512242-A1 NOVEL COMPOUNDS Glaxo Wellcome Manufacturing Pte Ltd (SG) 2012-10-24 EP disclosed
US-20120252805-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2012-10-04 US disclosed
WO-2011075559-A1 NOVEL COMPOUNDS GLAXO WELLCOME MANUFACTURING PTE LTD. (SG) 2011-06-23 WO disclosed
EP-1383463-B1 FUSED THIOPHENE COMPOUNDS AND USE THEREOF IN THE TREATMENT OF CHRONIC PAIN KING PHARMACEUTICALS INC (US) 2011-04-27 EP disclosed
EP-1383463-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE KING PHARMACEUTICALS INC (US) 2009-03-25 EP disclosed
US-7449490-B2 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-11-11 US disclosed
US-7101905-B2 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. (US) 2006-09-05 US disclosed
US-20060183921-A1 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2006-08-17 US disclosed
EP-1383463-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE King Pharmaceuticals, Inc. (US) 2004-01-28 EP disclosed
US-20030073733-A1 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2003-04-17 US disclosed
WO-2002083083-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE KING PHARMACEUTICALS, INC. (US) 2002-10-24 WO disclosed
US-6452008-B2 3-UREA COMPOUND FROM THE 3-AMIDO COMPOUND WITHOUT AZIDATION PROCESS WHICH HAS RISK OF EXPLOSION; REACTION WITH HYPOCHLORITE, HYPOBROMITE OR LEAD TETRAACETATE AND THEN AN AMINE; ACAT INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-09-17 US disclosed
US-20010051732-A1 Pyridone derivatives and process for preparing the same SUMITOMO PHARMACEUTICALS COMPANY, LIMITED 2001-12-13 US disclosed
US-6300500-B1 Preparation of pyridone derivatives using phthalimido containing starting material SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-10-09 US disclosed
EP-1086948-A1 PYRIDONE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-03-28 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-20120252805-A1 NOVEL COMPOUNDS CYBB, NOX1, NOX4 NPC1 1920/4885RAB9A 2150/4885MAPT 1781/4885
US-20060183921-A1 Pharmaceutically active compounds and methods of use TRPV1, TPMT, ACHE NPC1 931/4885RAB9A 1503/4885MAPT 1176/4885
US-20030073733-A1 Pharmaceutically active compounds and methods of use TRPV1, TPMT, ACHE NPC1 931/4885RAB9A 1503/4885MAPT 1176/4885
US-20010051732-A1 Pyridone derivatives and process for preparing the same HK1, HPD, ALK NPC1 3650/4885RAB9A 1590/4885MAPT 2933/4885

“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.