SCHEMBL513547

SCHEMBL513547

NCC(N)C(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.43
HTR2A P28223 2/20 0.43
GABBR2 O75899 2/20 0.42
GABBR1 Q9UBS5 2/20 0.42
GSR P00390 1/20 0.39
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
DPP4 P27487 2/20 0.37
F2 P00734 1/20 0.37
NPC1 O15118 1/20 0.37
ADAM17 P78536 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
HRH1 P35367 1/20 0.36
MAPK1 P28482 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1667445 0.81 GABBR2 (0.50) GABBR2GABBR1GSRMAPTNPSR1
SCHEMBL6281430 0.80 LMNA (0.46) GSRDPP4F2NPC1ADAM17
SCHEMBL10437246 0.79 GRIN1 (0.39) HTR2AGSRTDP1HRH1KMT2A
Hydrochloric Acid SCHEMBL10437252 0.78 GRIN1 (0.38) HTR2AGSRTDP1HRH1KMT2A
SCHEMBL3478224 0.75 NPC1 (0.45) TAAR1HTR2AGABBR2GABBR1GSR
SCHEMBL5884517 0.75 KDM4E (0.43) TAAR1HTR2AGABBR2GABBR1GSR
SCHEMBL162874 0.75 TAAR1 (0.48) TAAR1HTR2AGABBR2GABBR1GSR
SCHEMBL6451939 0.74 CYP2D6 (0.42) GABBR2GABBR1GSRDPP4MAPK1
SCHEMBL14935824 0.74 CYP2D6 (0.42) GABBR2GABBR1GSRDPP4MAPK1
SCHEMBL6451941 0.74 CYP2D6 (0.42) GABBR2GABBR1GSRDPP4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9849196-B2 Methods and compositions for altering photophysical properties of fluorophores via proximal quenching CORNELL UNIVERSITY (US) 2017-12-26 US disclosed
US-20150328340-A1 METHODS AND COMPOSITIONS FOR ALTERING PHOTOPHYSICAL PROPERTIES OF FLUOROPHORES VIA PROXIMAL QUENCHING CORNELL UNIVERSITY (US) 2015-11-19 US disclosed
US-8945515-B2 Methods and compositions for altering photophysical properties of fluorophores via proximal quenching CORNELL UNIVERSITY (US) 2015-02-03 US disclosed
US-20120027689-A1 METHODS AND COMPOSITIONS FOR ALTERING PHOTOPHYSICAL PROPERITES OF FLUOROPHORES VIA PROXIMAL QUENCHING CORNELL UNIVERSITY (US) 2012-02-02 US disclosed
WO-2010096720-A2 METHODS AND COMPOSITIONS FOR ALTERING PHOTOPHYSICAL PROPERTIES OF FLUOROPHORES VIA PROXIMAL QUENCHING CORNELL UNIVERSITY (US) 2010-08-26 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 (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-20120027689-A1 METHODS AND COMPOSITIONS FOR ALTERING PHOTOPHYSICAL PROPERITES OF FLUOROPHORES VIA PROXIMAL QUENCHING APEX1, PPOX, PRDX5 TAAR1 2500/4885HTR2A 1437/4885GABBR2 3025/4885
US-20150328340-A1 METHODS AND COMPOSITIONS FOR ALTERING PHOTOPHYSICAL PROPERTIES OF FLUOROPHORES VIA PROXIMAL QUENCHING APEX1, ARFGEF1, PRDX3 TAAR1 1823/4885HTR2A 830/4885GABBR2 2453/4885

“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.