SCHEMBL62023

SCHEMBL62023

CN(C)c1ccc2nc(/C=C/c3ccc(N(C)CCO)cc3)c(=O)oc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.38
MAOA P21397 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
INSR P06213 1/20 0.37
MAPT P10636 4/20 0.36
GAA P10253 3/20 0.36
BLM P54132 1/20 0.36
APP P05067 8/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
ELANE P08246 1/20 0.35
NOX1 Q9Y5S8 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL62571 0.96 KMT2A (0.39) KMT2AMEN1INSRMAPTGAA
SCHEMBL13201658 0.85 MAOA (0.37) SLC16A3MAOAKMT2AMEN1INSR
SCHEMBL62350 0.84 MAOA (0.37) SLC16A3MAOAKMT2AMEN1INSR
SCHEMBL62625 0.84 MAOA (0.37) SLC16A3MAOAKMT2AMEN1INSR
SCHEMBL13931380 0.83 EGFR (0.38) SLC16A3MAOAKMT2AMEN1INSR
SCHEMBL13201642 0.77 APP (0.33) MAOAINSRMAPTAPP
SCHEMBL61067 0.76 MAPT (0.50) SLC16A3KMT2AMEN1MAPTGAA
SCHEMBL23533647 0.75 SLC16A3 (0.40) SLC16A3MAOAKMT2AMEN1MAPT
SCHEMBL21036961 0.71 MAPT (0.36) KMT2AMEN1MAPTAPPLMNA
SCHEMBL31722935 0.70 SLC16A3 (0.36) SLC16A3KMT2AMEN1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152319-B1 NEAR-INFRARED DYES AS SURFACE ENHANCED RAMAN SCATTERING REPORTERS BECTON DICKINSON CO (US) 2015-04-08 EP disclosed
US-8962342-B2 Near-infrared dyes as surface enhanced raman scattering reporters BECKTON, DICKINSON AND COMPANY (US) 2015-02-24 US disclosed
US-8129525-B2 Long wavelength thiol-reactive fluorophores BECTON DICKINSON AND COMPANY (US) 2012-03-06 US disclosed
US-8129525-B2 Long wavelength thiol-reactive fluorophores BECTON DICKINSON AND COMPANY (US) 2012-03-06 US disclosed
US-8071794-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON AND COMPANY (US) 2011-12-06 US disclosed
US-8071794-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON AND COMPANY (US) 2011-12-06 US disclosed
US-20110184168-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2011-07-28 US disclosed
US-20110184168-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2011-07-28 US disclosed
EP-2223971-A1 Long wavelength thiol-reactive fluorophores Becton, Dickinson & Company (US) 2010-09-01 EP disclosed
US-7767821-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2010-08-03 US disclosed
US-7767821-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2010-08-03 US disclosed
US-20100167417-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2010-07-01 US disclosed
US-20100167417-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2010-07-01 US disclosed
US-20100003763-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2010-01-07 US disclosed
US-20100003763-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2010-01-07 US disclosed
US-7563891-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2009-07-21 US disclosed
US-7563891-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2009-07-21 US disclosed
EP-2036953-A2 Long wavelength thiol-reactive fluorophores Becton, Dickinson & Company (US) 2009-03-18 EP disclosed
US-20080305489-A1 NEAR-INFRARED DYES AS SURFACE ENHANCED RAMAN SCATTERING REPORTERS BECTON, DICKINSON AND COMPANY (US) 2008-12-11 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 (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-20100167417-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 SLC16A3 3455/4885MAOA 3835/4885KMT2A 3702/4885
US-20100003763-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 SLC16A3 3455/4885MAOA 3835/4885KMT2A 3702/4885
US-20110184168-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 SLC16A3 3455/4885MAOA 3835/4885KMT2A 3702/4885

“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.