SCHEMBL17525024

SCHEMBL17525024

O=C(O)CCNc1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSTM2 P28161 2/20 0.67
MEN1 O00255 6/20 0.63
KMT2A Q03164 6/20 0.63
USP2 O75604 1/20 0.63
HTT P42858 1/20 0.63
RECQL P46063 1/20 0.63
MYC P01106 7/20 0.57
MAX P61244 3/20 0.57
HRH3 Q9Y5N1 2/20 0.57
IDO1 P14902 3/20 0.56
MIF P14174 1/20 0.56
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GSTP1 P09211 1/20 0.52

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
SCHEMBL14617994 0.92 GSTM2 (0.72) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL592618 0.90 GSTM2 (0.76) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL15516469 0.90 GSTM2 (0.76) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL15515612 0.90 GSTM2 (0.76) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL31320442 0.90 GSTM2 (0.76) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL459120 0.90 GSTM2 (0.76) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL285019 0.90 GSTM2 (0.76) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL10824789 0.86 MEN1 (0.66) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL18056383 0.86 GSTM2 (0.63) GSTM2MEN1KMT2AUSP2HTT
SCHEMBL31580439 0.85 GSTM2 (0.59) GSTM2MEN1KMT2AUSP2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9773953-B2 Organic phosphor-functionalized nanoparticles and compositions comprising the same RENSSELAER POLYTECHNIC INSTITUTE (US) 2017-09-26 US disclosed
US-20160049559-A1 ORGANIC PHOSPHOR-FUNCTIONALIZED NANOPARTICLES AND COMPOSITIONS COMPRISING THE SAME RENSSELAER POLYTECHNIC INSTITUTE (US) 2016-02-18 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 (1 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-20160049559-A1 ORGANIC PHOSPHOR-FUNCTIONALIZED NANOPARTICLES AND COMPOSITIONS COMPRISING THE SAME CLTA, CLTB, CLTC GSTM2 1131/4885MEN1 4323/4885KMT2A 3306/4885

“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.