SCHEMBL2961474

SCHEMBL2961474

O=C1N=NC(=O)c2c(O)cccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.56
MAPT P10636 8/20 0.54
ALDH1A1 P00352 5/20 0.54
TDP1 Q9NUW8 5/20 0.54
ALOX15 P16050 4/20 0.54
HSD17B10 Q99714 4/20 0.54
MAPK1 P28482 4/20 0.54
HPGD P15428 3/20 0.54
TSHR P16473 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.54
MAOB P27338 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 7/20 0.50
MEN1 O00255 6/20 0.50
KDM4E B2RXH2 5/20 0.50
RECQL P46063 5/20 0.50
USP2 O75604 4/20 0.50
CYP3A4 P08684 4/20 0.50
AURKA O14965 2/20 0.50

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
SCHEMBL4850007 0.83 MAOA (0.56) MAOAMAPTALDH1A1TDP1ALOX15
SCHEMBL2229694 0.74 ADORA2A (0.50) MAOAMAPTALDH1A1TDP1MAPK1
SCHEMBL4958351 0.74 MAPT (0.34) MAOAMAPTALDH1A1TDP1ALOX15
Anthrarufin SCHEMBL187843 0.72 MAOA (1.00) MAOAMAPTALDH1A1TDP1ALOX15
Anthrarufin SCHEMBL29874705 0.72 MAOA (1.00) MAOAMAPTALDH1A1TDP1ALOX15
SCHEMBL875843 0.72 MAPT (0.86) MAOAMAPTALDH1A1TDP1ALOX15
Anthrarufin SCHEMBL29363946 0.72 MAOA (1.00) MAOAMAPTALDH1A1TDP1ALOX15
SCHEMBL112133 0.70 MEN1 (0.50) MAOAMAPTALDH1A1TDP1ALOX15
SCHEMBL29714477 0.70 MEN1 (0.50) MAOAMAPTALDH1A1TDP1ALOX15
Danthron SCHEMBL29356886 0.70 MAPT (1.00) MAOAMAPTALDH1A1TDP1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1655301-B1 CYCLIC BIOISOSTERS OF PURINE SYSTEM DERIVATIVES AND A PHARMACEUTICAL COMPOSITION BASED THEREON ZHILOV VALERY KHAZHMURATOVICH (RU) 2015-03-11 EP claimed
US-8592421-B2 Cyclic bioisosters of purine system derivatives and a pharmaceutical composition based thereon Zhilov, Valery Khazhmuratovich (RU) 2013-11-26 US claimed
EP-2074998-B1 Use of cyclic bioisosteres of purine system derivatives for the treatment of diseases caused by disorders of nitrergic and dopaminergic systems ZHILOV VALERY KHAZHMURATOVICH (RU) 2013-10-16 EP claimed
US-7776833-B2 Use of cyclic bioisosters of purine system derivatives for treating diseases produced by disorders of niterergic and dopaminergic systems Zhilov, Valery Khazhmuratovich (RU) 2010-08-17 US claimed
EP-2074998-A2 Use of cyclic bioisosteres of purine system derivatives for the treatment of diseases caused by disorders of nitrergic and dopaminergic systems Zhilov, Valery Khazhmuratovich (RU) 2009-07-01 EP claimed
US-20080194501-A1 Cyclic Bioisosters of Derivatives of a Purine System and Pharmaceutical Composition Based Thereon ZHILOV, VALERY KHAZHMURATOVICH (RU) 2008-08-14 US claimed
US-20070135636-A1 Use of cyclic bioisosters of purine system derivatives for treating diseases produced by disorders of niterergic and dopaminergic systems VALERY KHAZHMURATOVICH ZHILOV (RU) 2007-06-14 US claimed
EP-1655301-A1 CYCLIC BIOISOSTERS OF PURINE SYSTEM DERIVATIVES AND A PHARMACEUTICAL COMPOSITION BASED THEREON Zhilov, Valery Khazhmuratovich (RU) 2006-05-10 EP claimed
EP-1655028-A2 USE OF CYCLIC BIOISOSTERES OF PURINE SYSTEM DERIVATIVES FOR THE TREATMENT OF DISEASES CAUSED BY DISORDERS OF NITRERGIC AND DOPAMINERGIC SYSTEMS Zhilov, Valery Khazhmuratovich (RU) 2006-05-10 EP claimed
EP-0675968-B1 ENZYME-CATALYZED CHEMILUMINESCENT DETECTION OF PROTEINS AND NUCLEIC ACIDS USING HYDROXYARYL CYCLIC DIACYLHYDRAZIDE COMPOUNDS LUMIGEN INC (US) 2002-03-13 EP claimed
EP-0938677-A4 CHEMILUMINESCENT DETECTION METHODS USING DUAL ENZYME-LABELED BINDING PARTNERS LUMIGEN INC (US) 2000-09-27 EP claimed
EP-0938677-A1 CHEMILUMINESCENT DETECTION METHODS USING DUAL ENZYME-LABELED BINDING PARTNERS LUMIGEN, INC. (US) 1999-09-01 EP claimed
US-5843666-A Chemiluminescent detection methods using dual enzyer-labeled binding partners LUMIGEN, INC. (US) 1998-12-01 US claimed
WO-1998021586-A1 CHEMILUMINESCENT DETECTION METHODS USING DUAL ENZYME-LABELED BINDING PARTNERS LUMIGEN, INC. (US) 1998-05-22 WO claimed
EP-0675968-A4 ENZYME-CATALYZED CHEMILUMINESCENT DETECTION OF PROTEINS AND NUCLEIC ACIDS USING HYDROXYARYL CYCLIC DIACYLHYDRAZIDE COMPOUNDS. LUMIGEN INC (US) 1997-11-26 EP claimed
US-5601977-A GENERATING CHEMILUMINESCENCE FROM OXIDATION OF CYCLIC DIACYLHYDRAZIDE DERIVATIVE BY ACTION OF PEROXIDASE ENZYME, A PEROXIDE OXIDIZER AND ENHANCER LUMIGEN, INC. (US) 1997-02-11 US claimed
EP-0675968-A1 ENZYME-CATALYZED CHEMILUMINESCENT DETECTION OF PROTEINS AND NUCLEIC ACIDS USING HYDROXYARYL CYCLIC DIACYLHYDRAZIDE COMPOUNDS LUMIGEN, INC. (US) 1995-10-11 EP claimed
WO-1994014979-A1 ENZYME-CATALYZED CHEMILUMINESCENT DETECTION OF PROTEINS AND NUCLEIC ACIDS USING HYDROXYARYL CYCLIC DIACYLHYDRAZIDE COMPOUNDS LUMIGEN, INC. (US) 1994-07-07 WO claimed
EP-1655301-B1 CYCLIC BIOISOSTERS OF PURINE SYSTEM DERIVATIVES AND A PHARMACEUTICAL COMPOSITION BASED THEREON ZHILOV VALERY KHAZHMURATOVICH (RU) 2015-03-11 EP disclosed
US-3933488-A CHEMILUMINESCENCE FUJI PHOTO FILM CO., LTD. (JA) 1976-01-20 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 (2 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-20070135636-A1 Use of cyclic bioisosters of purine system derivatives for treating diseases produced by disorders of niterergic and dopaminergic systems ADORA2A, ADORA3, ADORA1 MAOA 51/4885MAPT 1864/4885ALDH1A1 1009/4885
US-20080194501-A1 Cyclic Bioisosters of Derivatives of a Purine System and Pharmaceutical Composition Based Thereon ADORA3, ADORA2A, ADORA2B MAOA 1442/4885MAPT 4848/4885ALDH1A1 1746/4885

“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.