SCHEMBL4065223

SCHEMBL4065223

O=C(c1ccc(-c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)nc1)N1CCC(N2CCCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 18/20 0.49
L3MBTL1 Q9Y468 16/20 0.49
MBTD1 Q05BQ5 4/20 0.44
L3MBTL4 Q8NA19 2/20 0.44
TP53BP1 Q12888 2/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41

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
Hydrochloric Acid SCHEMBL4060911 0.99 L3MBTL3 (0.48) L3MBTL3L3MBTL1MBTD1L3MBTL4TP53BP1
SCHEMBL4029976 0.85 HRH4 (0.52) L3MBTL1GSK3AGSK3BCDK5CDK5R1
SCHEMBL4061274 0.85 KDM4E (0.49) GSK3AGSK3BCDK5CDK5R1
SCHEMBL4057858 0.83 TLR9 (0.42) L3MBTL3GSK3AGSK3BCDK5CDK5R1
Hydrochloric Acid SCHEMBL4060793 0.82 TLR9 (0.41) L3MBTL3GSK3AGSK3BCDK5CDK5R1
Fumaric Acid SCHEMBL4059029 0.80 HRH4 (0.47) L3MBTL1GSK3AGSK3BCDK5CDK5R1
Fumaric Acid SCHEMBL4059032 0.80 HRH4 (0.47) L3MBTL1GSK3AGSK3BCDK5CDK5R1
Fumaric Acid SCHEMBL4059019 0.80 HRH4 (0.47) L3MBTL1GSK3AGSK3BCDK5CDK5R1
SCHEMBL4065913 0.78 MAPT (0.51) GSK3AGSK3BCDK5CDK5R1
SCHEMBL4065919 0.78 MAPT (0.51) GSK3AGSK3BCDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492785-B9 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2009-10-21 EP claimed
US-20090149460-A1 New Compounds BERG STEFAN 2009-06-11 US claimed
EP-1492785-B1 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2008-12-03 EP claimed
US-7399780-B2 3-Heterocyclyl-indole inhibitors of glycogen synthase kinase-3 ASTRAZENECA AB (SE) 2008-07-15 US claimed
US-5185386-A Composition for preventing plaque build-up; solvent, evaporation promoter, polyurethane and fluoropolymer ESSENTIAL DENTAL SYSTEMS, INC. (US) 1993-02-09 US claimed
US-7538163-B2 Modification of thermoplastic polymers MEDTRONIC, INC. (US) 2009-05-26 US disclosed
EP-1758995-A1 IRREVERSIBLE IMMOBILIZATION OF ENZYMES INTO POLYURETHANE COATINGS UNIVERSITY OF PITTSBURGH (US) 2007-03-07 EP disclosed
US-20060223955-A1 Modification of thermoplastic polymers MEDTRONIC, INC. 2006-10-05 US disclosed
WO-2005118801-A1 IRREVERSIBLE IMMOBILIZATION OF ENZYMES INTO POLYURETHANE COATINGS UNIVERSITY OF PITTSBURGH (US) 2005-12-15 WO disclosed
EP-1409663-A2 IRREVERSIBLE IMMOBILIZATION OF DIISOPROPYLFLUOROPHOPHATASE INTO POLYURETHANE COATINGS UNIVERSITY OF PITTSBURGH (US) 2004-04-21 EP disclosed
WO-2003066851-A2 IRREVERSIBLE IMMOBILIZATION OF DIISOPROPYLFLUOROPHOPHATASE INTO POLYURETHANE COATINGS UNIVERSITY OF PITTSBURGH (US) 2003-08-14 WO disclosed
EP-0608361-B1 ROOT CANAL FILLING MATERIAL AND ADHESIVE COMPOSITION ESSENTIAL DENTAL SYSTEMS INC (US) 2001-03-14 EP disclosed
US-5263861-A Root canal filling material and adhesive composition ESSENTIAL DENTAL SYSTEMS, INC. (US) 1993-11-23 US disclosed
US-5236362-A Inserting thermoset resin in root canal and adhesive material suitable for maintaining polymer in root canal ESSENTIAL DENTAL SYSTEMS, INC. (US) 1993-08-17 US disclosed
WO-1993010176-A1 ROOT CANAL FILLING MATERIAL AND ADHESIVE COMPOSITION ESSENTIAL DENTAL SYSTEMS, INC. (US) 1993-05-27 WO disclosed
US-5185386-A Composition for preventing plaque build-up; solvent, evaporation promoter, polyurethane and fluoropolymer ESSENTIAL DENTAL SYSTEMS, INC. (US) 1993-02-09 US disclosed
WO-1992016594-A1 DENTAL COMPOSITION ESSENTIAL DENTAL SYSTEMS, INC. (US) 1992-10-01 WO disclosed
EP-0465302-A1 Precursors of isocyanurate polymers having hydroxyl, urethane, isocyanate or acrylate groups, and process for their preparation ELF ATOCHEM S.A. (FR) 1992-01-08 EP disclosed
US-4243788-A UNSATURATED ISOCYANURATE, UNSATURATED SOLVENT ICI AMERICAS INC. (US) 1981-01-06 US disclosed
US-4159376-A IMPACT STRENGTH, CORROSION RESISTANCE, CARBAMYLATION ICI AMERICAS INC. (US) 1979-06-26 US 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 (1 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-20090149460-A1 New Compounds SDHA, CYP11B2, SERPINB1 L3MBTL3 4885/4885L3MBTL1 4876/4885MBTD1 4340/4885

“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.