SCHEMBL3674511

SCHEMBL3674511

c1ccc2c(c1)Cc1c(ccc3ccncc13)O2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
TNF P01375 1/20 0.36
MAPKAPK2 P49137 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK10 P53779 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.34
ALOX5 P09917 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
RAD52 P43351 1/20 0.33

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
SCHEMBL29876714 0.93 MAOA (0.42) MAOAMAOBTNFMAPKAPK2GAA
SCHEMBL30688778 0.81 MAOA (0.55) MAOAMAOBMAPKAPK2GAANPSR1
SCHEMBL79264 0.81 MAOA (0.55) MAOAMAOBMAPKAPK2GAANPSR1
SCHEMBL29370052 0.81 MAOA (0.55) MAOAMAOBMAPKAPK2GAANPSR1
Benzimidazole SCHEMBL28481892 0.81 QPCT (0.33) MAOAMAOBKDM4EHPGDMAPK10
Water SCHEMBL27261398 0.80 MAOA (0.53) MAOAMAOBMAPKAPK2GAANPSR1
SCHEMBL668167 0.77 MAOA (0.50) MAOAMAOBMAPKAPK2KDM4ECYP1A2
SCHEMBL31329296 0.77 MAOA (0.50) MAOAMAOBMAPKAPK2KDM4ECYP1A2
Xanthene SCHEMBL28326773 0.76 MAOA (0.59) MAOAMAOBTNFMAPKAPK2GAA
SCHEMBL8515984 0.74 MAOB (0.65) MAOAMAOBTNFMAPKAPK2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041690-A1 Co-Administration of Dopamine-Receptor Binding Compounds DARPHARMA, INC. 2010-02-18 US claimed
US-20070254906-A1 Method of Administration of Dopamine Receptor Agonists DARPHARMA, INC. (US) 2007-11-01 US claimed
US-20070155720-A1 Co-administration of dopamine-receptor binding compounds DARPHARMA, INC. (US) 2007-07-05 US claimed
EP-1699450-A2 CO-ADMINISTRATION OF DOPAMINE-RECEPTOR BINDING COMPOUNDS Darpharma, INC. (US) 2006-09-13 EP claimed
WO-2006012640-A2 METHOD OF ADMINISTRATION OF DOPAMINE RECEPTOR AGONISTS DARPHARMA, INC. (US) 2006-02-02 WO claimed
WO-2005062894-A2 CO-ADMINISTRATION OF DOPAMINE-RECEPTOR BINDING COMPOUNDS DARPHARMA, INC. (US) 2005-07-14 WO claimed
US-8318938-B2 Trans-fused chromenoisoquinolines synthesis and methods for use PURDUE RESEARCH FOUNDATION (US) 2012-11-27 US disclosed
US-8318938-B2 Trans-fused chromenoisoquinolines synthesis and methods for use PURDUE RESEARCH FOUNDATION (US) 2012-11-27 US disclosed
US-8318938-B2 Trans-fused chromenoisoquinolines synthesis and methods for use PURDUE RESEARCH FOUNDATION (US) 2012-11-27 US disclosed
US-20100041690-A1 Co-Administration of Dopamine-Receptor Binding Compounds DARPHARMA, INC. 2010-02-18 US disclosed
WO-2006012640-A3 METHOD OF ADMINISTRATION OF DOPAMINE RECEPTOR AGONISTS DARPHARMA INC (US) 2009-04-16 WO disclosed
US-20090030025-A1 TRANS-FUSED CHROMENOISOQUINOLINES SYNTHESIS AND METHODS FOR USE PURDUE RESEARCH FOUNDATION (US) 2009-01-29 US disclosed
US-20090030025-A1 TRANS-FUSED CHROMENOISOQUINOLINES SYNTHESIS AND METHODS FOR USE PURDUE RESEARCH FOUNDATION (US) 2009-01-29 US disclosed
US-6413977-B1 D1 AGONISTS; CENTRAL AND PERIPHERAL NERVOUS SYSTEM DYSFUNCTIONS; IMPROVING COGNITION AND MEMORY; PARKINSON'S DISEASE, SCHIZOPHRENIA, ATTENTION-DEFICIT HYPERACTIVITY, SUBSTANCE ABUSE, PHYSIOLOGICAL FUNCTION PURDUE RESEARCH FOUNDATION 2002-07-02 US disclosed
EP-1192161-A2 CHROMENO[4,3,2-DE]ISOQUINOLINES AS POTENT DOPAMINE RECEPTOR LIGANDS PURDUE RESEARCH FOUNDATION (US) 2002-04-03 EP disclosed
US-6346536-B1 BENZOPYRANOISOQUINOLONE DERIVATIVES; NEURODEGENERATIVE AND BRAIN DISORDERS; REPERFUSION INJURIES; ANTIISCHEMIC AGENTS GUILFORD PHARMACEUTICALS INC. 2002-02-12 US disclosed
US-6306889-B1 FUSED HETEROCYCLIC DRUGS FOR CARDIOVASCULAR DISORDERS GUILFORD PHARMACEUTICALS INC. 2001-10-23 US disclosed
WO-2000078765-A2 CHROMENO[4,3,2-de]ISOQUINOLINES AS POTENT DOPAMINE RECEPTOR LIGANDS PURDUE RESEARCH FOUNDATION (US) 2000-12-28 WO disclosed
EP-1019409-A1 POLY(ADP-RIBOSE) POLYMERASE (\"PARP\") INHIBITORS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING NEURAL OR CARDIOVASCULAR TISSUE DAMAGE GUILFORD PHARMACEUTICALS INC. (US) 2000-07-19 EP disclosed
WO-1999011645-A1 POLY(ADP-RIBOSE) POLYMERASE ('PARP') INHIBITORS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING NEURAL OR CARDIOVASCULAR TISSUE DAMAGE GUILFORD PHARMACEUTICALS INC. (US) 1999-03-11 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-20100041690-A1 Co-Administration of Dopamine-Receptor Binding Compounds DRD2, DRD1, DRD3 MAOA 296/4885MAOB 221/4885TNF 4527/4885
US-20090030025-A1 TRANS-FUSED CHROMENOISOQUINOLINES SYNTHESIS AND METHODS FOR USE SLC6A3, HTR3B, SLC18A2 MAOA 237/4885MAOB 147/4885TNF 4813/4885
US-20070254906-A1 Method of Administration of Dopamine Receptor Agonists ADRA1D, DRD2, CHRM3 MAOA 734/4885MAOB 698/4885TNF 3897/4885
US-20070155720-A1 Co-administration of dopamine-receptor binding compounds DRD2, DRD1, DRD3 MAOA 287/4885MAOB 213/4885TNF 4539/4885

“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.