SCHEMBL71518

SCHEMBL71518

COC(=O)c1nccnc1C(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.55
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 4/20 0.42
KDM4C Q9H3R0 2/20 0.42
MAPK1 P28482 2/20 0.42
KDM6B O15054 1/20 0.41
KDM5C P41229 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
KDM3A Q9Y4C1 1/20 0.41
STAT3 P40763 1/20 0.41
HIF1A Q16665 1/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39

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
SCHEMBL9632764 0.93 NPSR1 (0.52) NPSR1L3MBTL1KDM4EALDH1A1KDM4C
SCHEMBL31027302 0.91 KDM4E (0.58) NPSR1L3MBTL1KDM4EALDH1A1KDM4C
SCHEMBL361255 0.91 KDM4E (0.58) NPSR1L3MBTL1KDM4EALDH1A1KDM4C
SCHEMBL24994251 0.87 NPSR1 (0.46) NPSR1L3MBTL1KDM4EALDH1A1KDM4C
SCHEMBL360639 0.86 NPSR1 (0.50) NPSR1L3MBTL1KDM4EALDH1A1KDM4C
SCHEMBL871602 0.86 NPSR1 (0.50) NPSR1L3MBTL1KDM4EALDH1A1KDM4C
SCHEMBL162243 0.86 L3MBTL1 (0.53) NPSR1L3MBTL1KDM4EALDH1A1KDM4C
SCHEMBL29409978 0.86 NPSR1 (0.50) NPSR1L3MBTL1KDM4EALDH1A1KDM4C
SCHEMBL261104 0.84 NPSR1 (0.48) NPSR1L3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL23888774 0.84 NPSR1 (0.48) NPSR1L3MBTL1KDM4EALDH1A1KDM4C

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-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US disclosed
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 US disclosed
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
US-7253180-B2 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2007-08-07 US disclosed
US-7253180-B2 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2007-08-07 US disclosed
US-20060211724-A1 Hiv integrase inhibitors VERSCHUEREN GASTON W 2006-09-21 US disclosed
US-6124298-A USED IN REGULATING HAEMATOPOIESIS NYCOMED IMAGING AS (NO) 2000-09-26 US disclosed
EP-0799208-B1 PYRIDINE AND PYRAZINEDICARBOXYLIC-ACID DERIVATIVES AS CELL PROLIFERATION REGULATORS NYCOMED IMAGING AS (NO) 2000-09-13 EP disclosed
US-5972926-A REACTING A DIAMINE DERIVATIVE WITH PYRIDINE OR PYRIZINE 2,3-DICARBOXYLIC ACID OR 2,3-CARBOXYLIC ANHYDRIDE, CONVERTING THE COMPOUND INTO A SALT, RESOLVING THE FORMED COMPOUND INTO ITS ISOMER NYCOMED IMAGING AS (NO) 1999-10-26 US disclosed
EP-0799208-A1 PYRIDINE AND PYRAZINEDICARBOXYLIC-ACID DERIVATIVES AS CELL PROLIFERATION REGULATORS NYCOMED IMAGING AS (NO) 1997-10-08 EP disclosed
WO-1996019457-A1 PYRIDINE AND PYRAZINEDICARBOXYLIC-ACID DERIVATIVES AS CELL PROLIFERATION REGULATORS NYCOMED IMAGING AS (NO) 1996-06-27 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 (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-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 NPSR1 2736/4885L3MBTL1 4274/4885KDM4E 717/4885
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds MUS81, CDKL4, INTS6 NPSR1 1404/4885L3MBTL1 164/4885KDM4E 1594/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE NPSR1 4629/4885L3MBTL1 495/4885KDM4E 1618/4885
US-20060211724-A1 Hiv integrase inhibitors SULT1A1, SULT2A1, SULT1E1 NPSR1 259/4885L3MBTL1 1366/4885KDM4E 4133/4885

“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.