SCHEMBL513548

SCHEMBL513548

NCC(N)(Cc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
HIF1A Q16665 1/20 0.44
TAAR1 Q96RJ0 2/20 0.44
SLC6A2 P23975 1/20 0.44
CPA1 P15085 5/20 0.38
LOXL2 Q9Y4K0 2/20 0.37
FDPS P14324 1/20 0.35
CYP1A2 P05177 4/20 0.35
CYP2C19 P33261 2/20 0.35
KIF11 P52732 1/20 0.35
CYP2A6 P11509 1/20 0.34
HTR2A P28223 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 1/20 0.34
PRMT1 Q99873 1/20 0.34
RECQL P46063 1/20 0.34

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
Acetic Acid SCHEMBL5573467 0.89 SMN1; SMN2 (0.44) SMN1; SMN2HIF1ATAAR1SLC6A2CPA1
SCHEMBL10831201 0.76 SLC6A2 (0.55) SMN1; SMN2HIF1ATAAR1SLC6A2FDPS
SCHEMBL9583022 0.74 SMN1; SMN2 (0.44) SMN1; SMN2HIF1ATAAR1SLC6A2CPA1
SCHEMBL1828129 0.74 SMN1; SMN2 (0.42) SMN1; SMN2HIF1ATAAR1SLC6A2CPA1
SCHEMBL5151339 0.74 SLC6A2 (0.41) SMN1; SMN2HIF1ATAAR1SLC6A2CPA1
SCHEMBL14935688 0.73 SMN1; SMN2 (0.56) SMN1; SMN2HIF1ATAAR1SLC6A2CPA1
Hydrochloric Acid SCHEMBL9582760 0.73 SMN1; SMN2 (0.43) SMN1; SMN2HIF1ATAAR1SLC6A2FDPS
SCHEMBL4362988 0.73 SMN1; SMN2 (0.56) SMN1; SMN2HIF1ATAAR1SLC6A2CPA1
SCHEMBL28243868 0.73 SMN1; SMN2 (0.56) SMN1; SMN2HIF1ATAAR1SLC6A2CPA1
SCHEMBL7797910 0.71 TRPA1 (0.46) SMN1; SMN2HIF1ATAAR1SLC6A2CPA1

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 SMN1; SMN2 3773/4885HIF1A 381/4885TAAR1 2500/4885
US-20150328340-A1 METHODS AND COMPOSITIONS FOR ALTERING PHOTOPHYSICAL PROPERTIES OF FLUOROPHORES VIA PROXIMAL QUENCHING APEX1, ARFGEF1, PRDX3 SMN1; SMN2 3645/4885HIF1A 585/4885TAAR1 1823/4885

“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.