SCHEMBL62625

SCHEMBL62625

BCC(=O)OCCN(C)c1ccc(/C=C/c2nc3ccc(N(C)C)cc3oc2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.37
SLC16A3 O15427 1/20 0.35
ATP4A P20648 2/20 0.33
ATP4B P51164 2/20 0.33
BACE1 P56817 2/20 0.32
INSR P06213 1/20 0.32
MAPT P10636 3/20 0.32
KMT2A Q03164 3/20 0.32
GAA P10253 2/20 0.32
BLM P54132 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
NQO1 P15559 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
EGFR P00533 1/20 0.32
MAOB P27338 1/20 0.32
APP P05067 4/20 0.31
ELANE P08246 2/20 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
SCHEMBL13201658 0.92 MAOA (0.37) MAOASLC16A3ATP4AATP4BBACE1
SCHEMBL62350 0.91 MAOA (0.37) MAOASLC16A3ATP4AATP4BBACE1
SCHEMBL62023 0.84 SLC16A3 (0.38) MAOASLC16A3INSRMAPTKMT2A
SCHEMBL62571 0.80 KMT2A (0.39) INSRMAPTKMT2AGAABLM
SCHEMBL13931380 0.78 EGFR (0.38) MAOASLC16A3INSRMAPTKMT2A
SCHEMBL13201642 0.76 APP (0.33) MAOAINSRMAPTMAOBAPP
SCHEMBL23533647 0.69 SLC16A3 (0.40) MAOASLC16A3MAPTKMT2AGAA
SCHEMBL13762960 0.68 INSR (0.41) SLC16A3INSRMAPTKMT2AKDM4E
SCHEMBL31722935 0.64 SLC16A3 (0.36) SLC16A3MAPTKMT2AGAAKDM4E
SCHEMBL23533635 0.64 SLC16A3 (0.36) SLC16A3MAPTKMT2AGAAKDM4E

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-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-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

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 MAOA 3835/4885SLC16A3 3455/4885ATP4A 3670/4885
US-20100003763-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 MAOA 3835/4885SLC16A3 3455/4885ATP4A 3670/4885
US-20110184168-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 MAOA 3835/4885SLC16A3 3455/4885ATP4A 3670/4885

“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.