SCHEMBL2249259

SCHEMBL2249259

NCc1c2ccccc2c(CN)c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.67
TAAR1 Q96RJ0 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
LOXL2 Q9Y4K0 5/20 0.45
CYP2A6 P11509 3/20 0.41
PNMT P11086 1/20 0.38
PRMT5 O14744 1/20 0.37
MEN1 O00255 1/20 0.36
TNNI3 P19429 1/20 0.36
TNNT2 P45379 1/20 0.36
TNNC1 P63316 1/20 0.36
KMT2A Q03164 1/20 0.36
DPP4 P27487 2/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL31613081 1.00 HTR2A (0.67) HTR2ATAAR1KDM4EALDH1A1GAA
SCHEMBL22778308 0.90 HTR2A (0.56) HTR2ATAAR1KDM4EALDH1A1GAA
SCHEMBL13900828 0.89 HTR2A (0.56) HTR2ATAAR1KDM4EALDH1A1GAA
SCHEMBL16712664 0.87 HTR2A (0.54) HTR2ATAAR1KDM4EALDH1A1GAA
SCHEMBL15721675 0.87 HTR2A (0.54) HTR2ATAAR1KDM4EALDH1A1GAA
SCHEMBL18963321 0.87 HTR2A (0.54) HTR2ATAAR1KDM4EALDH1A1GAA
SCHEMBL16005849 0.87 HTR2A (0.54) HTR2ATAAR1KDM4EALDH1A1GAA
SCHEMBL18963265 0.87 HTR2A (0.54) HTR2ATAAR1KDM4EALDH1A1GAA
SCHEMBL12657296 0.87 HTR2A (0.54) HTR2ATAAR1KDM4EALDH1A1GAA
SCHEMBL2384515 0.81 HTR2A (1.00) HTR2ATAAR1KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365514-A1 MACROCYCLIC COMPOUNDS NOVO NORDISK RESEARCH CENTRE OXFORD LIMITED (GB) 2023-11-16 US disclosed
US-10866236-B2 Detection of cleavage activity of an enzyme MOLOGIC LIMITED (GB) 2020-12-15 US disclosed
WO-2019154974-A1 THERMALLY STABLE NIR DYES FOR LASER WELDING OF PLASTIC MATERIALS Københavns Universitet (DK) 2019-08-15 WO disclosed
EP-3111226-B1 MONITORING INFLAMMATION STATUS MOLOGIC LTD (GB) 2019-05-01 EP disclosed
EP-1608665-B1 SOLID-PHASE SACCHARIDE SENSING COMPOUNDS TERUMO CORP (JP) 2018-04-25 EP disclosed
US-9937272-B2 Anthracenyl-tetralactam macrocycles and their use in detecting a target saccharide UNIVERSITY OF BRISTOL (GB) 2018-04-10 US disclosed
US-9937272-B2 Anthracenyl-tetralactam macrocycles and their use in detecting a target saccharide UNIVERSITY OF BRISTOL (GB) 2018-04-10 US disclosed
US-20180079961-A1 PHOTOALIGNMENT COMPOSITION ROLIC AG (CH) 2018-03-22 US disclosed
CN-104428290-B Anthracene-tetralactam macrocycles and their use in detecting target sugars 布里斯托尔大学 2017-11-14 CN disclosed
US-20170266321-A1 ANTHRACENYL-TETRALACTAM MACROCYCLES AND THEIR USE IN DETECTING A TARGET SACCHARIDE UNIVERSITY OF BRISTOL (GB) 2017-09-21 US disclosed
US-20090191642-A1 Compositions, Systems, and Methods for Continuous Glucose Monitoring UNIVERSITY OF SOUTH CAROLINA (US) 2009-07-30 US disclosed
EP-1608665-A4 SOLID-PHASE SACCHARIDE SENSING COMPOUNDS TERUMO CORP (JP) 2008-08-06 EP disclosed
US-7297548-B2 Solid-phase saccharide sensing compounds TERUMO KABUSHIKI KAISHA (JP) 2007-11-20 US disclosed
CN-101037595-A Histindine fluorescence probe and special fluorescence compound CHINESE ACAD INST CHEMISTRY (CN) 2007-09-19 CN disclosed
US-20060223189-A1 Solid-phase saccharide sensing compounds TERUMO KABUSHIKI KAISHA (JP) 2006-10-05 US disclosed
EP-1608665-A1 SOLID-PHASE SACCHARIDE SENSING COMPOUNDS Terumo Corporation of Japan (JP) 2005-12-28 EP disclosed
WO-2004096817-A1 SOLID-PHASE SACCHARIDE SENSING COMPOUNDS TERUMO CORPORATION OF JAPAN (JP) 2004-11-11 WO disclosed
EP-1428030-A1 NEW LANDMARKS AND USE THEREOF Ludesi AB (SE) 2004-06-16 EP disclosed
US-20030070926-A1 Marker compounds suitable for gel electrophoresis are natural, non-natural compounds or a mixture, but not a protein, containing a monomer unit, a functional group and optional core unit FORSSTROM-OLSSON OLA (SE) 2003-04-17 US disclosed
WO-2003025581-A1 NEW LANDMARKS AND USE THEREOF LUDESI AB (SE) 2003-03-27 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 (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-20170266321-A1 ANTHRACENYL-TETRALACTAM MACROCYCLES AND THEIR USE IN DETECTING A TARGET SACCHARIDE SLC2A9, GPR119, SLC2A1 HTR2A 4181/4885TAAR1 1939/4885KDM4E 3331/4885
US-20060223189-A1 Solid-phase saccharide sensing compounds SLC2A1, SLC2A4, CD44 HTR2A 4551/4885TAAR1 2754/4885KDM4E 2730/4885
US-20230365514-A1 MACROCYCLIC COMPOUNDS SLC2A4, GALE, MPI HTR2A 3840/4885TAAR1 4648/4885KDM4E 2087/4885

“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.