SCHEMBL4174560

SCHEMBL4174560

NCCCCCCC1=CC(=O)NC1=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 9/20 0.34
HRH3 Q9Y5N1 4/20 0.34
HRH4 Q9H3N8 3/20 0.34
HRH2 P25021 2/20 0.34
STAT3 P40763 1/20 0.33
MAOA P21397 1/20 0.32
DNM1 Q05193 1/20 0.31

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
SCHEMBL15228417 1.00 HRH1 (0.34) HRH1HRH3HRH4HRH2STAT3
Hydrochloric Acid SCHEMBL28319672 0.98 HRH1 (0.33) HRH1HRH3HRH4HRH2STAT3
SCHEMBL31652590 0.98 MAOA (0.33) HRH1HRH3HRH4HRH2STAT3
SCHEMBL10626678 0.93 GSK3A (0.37) HRH1HRH3HRH4HRH2STAT3
SCHEMBL1887392 0.92 HRH4 (0.31) HRH3HRH4
SCHEMBL10428730 0.90 STAT3 (0.39) STAT3
SCHEMBL548131 0.90 STAT3 (0.39) STAT3
SCHEMBL10428620 0.90 STAT3 (0.39) STAT3
SCHEMBL6910095 0.90 STAT3 (0.39) STAT3
SCHEMBL549041 0.90 STAT3 (0.39) STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9763577-B2 Imaging agent for detection of diseased cells LUMICELL, INC. (US) 2017-09-19 US disclosed
US-20140301950-A1 IMAGING AGENT FOR DETECTION OF DISEASED CELLS LUMICELL, INC. (US) 2014-10-09 US disclosed
WO-2014152389-A1 IMAGING AGENT FOR DETECTION OF DISEASED CELLS LUMICELL, INC. (US) 2014-09-25 WO disclosed
US-20090068101-A9 A1 Adenosine Receptor Antagonists ENDACEA, INC. (US) 2009-03-12 US disclosed
US-20070274910-A1 e.g. 3-[2-(2-Aminophenyl)ethyl]-8-benzyl-7-(2-methylamino)ethyl-1-propylxanthine; A1-adenosine receptor antagonist; antiallergen, antiinflammatory agent; AIDS and immune deficiency disorders, asthma; good water solubility ENDACEA, INC. (US) 2007-11-29 US disclosed
EP-1636230-A2 A1 ADENOSINE RECEPTOR ANTAGONISTS Endacea, Inc. (US) 2006-03-22 EP disclosed
WO-2004110379-A2 A1 ADENOSINE RECEPTOR ANTAGONISTS ENDACEA, INC. (US) 2004-12-23 WO disclosed
EP-0306168-A1 Preparation of radiolabeled conjugates IMMUNOMEDICS, INC. (US) 1989-03-08 EP 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 (3 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-20140301950-A1 IMAGING AGENT FOR DETECTION OF DISEASED CELLS VHL, CD47, MKI67 HRH1 3778/4885HRH3 2885/4885HRH4 3895/4885
US-20070274910-A1 e.g. 3-[2-(2-Aminophenyl)ethyl]-8-benzyl-7-(2-methylamino)ethyl-1-propylxanthine; A1-adenosine receptor antagonist; antiallergen, antiinflammatory agent; AIDS and immune deficiency disorders, asthma; good water solubility HRH3, HRH1, HRH2 HRH1 2/4885HRH3 1/4885HRH4 6/4885
US-20090068101-A9 A1 Adenosine Receptor Antagonists ADORA1, ADORA3, ADORA2A HRH1 6/4885HRH3 5/4885HRH4 9/4885

“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.