SCHEMBL1618358

SCHEMBL1618358

c1ccc2c(c1)NNc1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.42
MAOB P27338 1/20 0.42
PDGFRA P16234 1/20 0.42
FER P16591 1/20 0.42
LTK P29376 1/20 0.42
CDK8 P49336 1/20 0.42
ACVR1 Q04771 1/20 0.42
LRRK2 Q5S007 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 4/20 0.40
NOX1 Q9Y5S8 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYBB P04839 2/20 0.40
GPR3 P46089 2/20 0.40
NOX5 Q96PH1 2/20 0.40
NOX4 Q9NPH5 2/20 0.40
NPC1 O15118 2/20 0.40
MAPK1 P28482 2/20 0.40

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
SCHEMBL28588443 0.82 GSK3B (0.50) MAOAMAOBPDGFRAFERLTK
SCHEMBL3662540 0.80 IDO1 (0.40) MAOAMAOBPDGFRAFERLTK
SCHEMBL20751705 0.80 MAOA (0.34) MAOAMAOBPDGFRAFERLTK
SCHEMBL982942 0.80 ALDH1A1 (0.39) MAOAMAOBPDGFRAFERLTK
SCHEMBL7088055 0.80 MAOA (0.34) MAOAMAOBPDGFRAFERLTK
SCHEMBL1858902 0.80 ALDH1A1 (0.39) MAOAMAOBPDGFRAFERLTK
SCHEMBL181764 0.76 LRRK2 (0.59) MAOAMAOBPDGFRAFERLTK
SCHEMBL30462618 0.76 LRRK2 (0.59) MAOAMAOBPDGFRAFERLTK
SCHEMBL17816635 0.76 LRRK2 (0.59) MAOAMAOBPDGFRAFERLTK
SCHEMBL2051642 0.74 ALDH1A1 (0.33) MAOAMAOBPDGFRAFERLTK

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4258116-A ORGANIC SEMICONDUCTOR CANON KABUSHIKI KAISHA (JP) 1981-03-24 US claimed
US-20110160246-A1 Neurodegenerative Protein Aggregation Inhibition Methods and Compounds THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2011-06-30 US disclosed
US-7923230-B2 Diminishing presence of protein aggregates in an environment susceptible to formation of protein aggregate by introducing into environment a compound having two domains, a first domain that binds to protein aggregation having two monomers, and a second domain binding to diminishing protein THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-04-12 US disclosed
US-7485706-B2 Neurodegenerative protein aggregation inhibition methods and compounds THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-02-03 US disclosed
US-20080182792-A1 NEURODEGENERATIVE PROTEIN AGGREGATION INHIBITION METHODS AND COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-07-31 US disclosed
US-20050209173-A1 Neurodegenerative protein aggregation inhibition methods and compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-09-22 US disclosed
WO-2005011610-A2 NEURODEGENERATIVE PROTEIN AGGREGATION INHIBITION METHODS AND COMPOUNDS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2005-02-10 WO disclosed
US-6518394-B2 Polyaniline, oxidation or electrochemical, aromatic amine initiator which reacts and becomes part of the polymer chain DREXEL UNIVERSITY 2003-02-11 US disclosed
US-20010037947-A1 End-functionalized aniline-based oligomers, corrosion-resistant copolymers and methods of making the same WEI YEN (US) 2001-11-08 US disclosed
US-20010034421-A1 End-functionalized aniline-based oligomers, corrosion-resistant copolymers and methods of making the same WEI YEN (US) 2001-10-25 US disclosed
US-6239251-B1 FORMING IMINE END GROUPS BY REACTION WITH AN ALDEHYDE DREXEL UNIVERSITY 2001-05-29 US disclosed
WO-1997014729-A9 END-FUNCTIONALIZED ANILINE-BASED OLIGOMERS, CORROSION-RESISTANT COPOLYMERS AND METHODS OF MAKING THE SAME 1997-08-07 WO disclosed
WO-1997014729-A1 END-FUNCTIONALIZED ANILINE-BASED OLIGOMERS, CORROSION-RESISTANT COPOLYMERS AND METHODS OF MAKING THE SAME DREXEL UNIVERSITY (US) 1997-04-24 WO disclosed
US-4258116-A ORGANIC SEMICONDUCTOR CANON KABUSHIKI KAISHA (JP) 1981-03-24 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-20010037947-A1 End-functionalized aniline-based oligomers, corrosion-resistant copolymers and methods of making the same MAOA, OGG1, AAAS MAOA 1/4885MAOB 9/4885PDGFRA 4147/4885
US-20010034421-A1 End-functionalized aniline-based oligomers, corrosion-resistant copolymers and methods of making the same MAOA, OGG1, AAAS MAOA 1/4885MAOB 9/4885PDGFRA 4147/4885

“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.