SCHEMBL1521287

SCHEMBL1521287

NOC(CO)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.53
IDO1 P14902 8/20 0.44
TDO2 P48775 6/20 0.44
HTR2A P28223 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
TRPA1 O75762 2/20 0.41
F9 P00740 1/20 0.40
F10 P00742 1/20 0.40
PLAU P00749 1/20 0.40
DPP4 P27487 2/20 0.39
F2 P00734 1/20 0.39
SRR Q9GZT4 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
IDO2 Q6ZQW0 1/20 0.38

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
SCHEMBL1521135 0.83 IDO1 (0.49) GSRIDO1TDO2HTR2ATAAR1
SCHEMBL1520937 0.83 IDO1 (0.49) GSRIDO1TDO2HTR2ATAAR1
SCHEMBL1520935 0.83 IDO1 (0.49) GSRIDO1TDO2HTR2ATAAR1
SCHEMBL4426985 0.81 GSR (0.57) GSRHTR2ATAAR1TRPA1F9
SCHEMBL1520614 0.79 IDO1 (0.46) GSRIDO1TDO2HTR2ATRPA1
SCHEMBL1262426 0.79 GSR (0.55) GSRHTR2ATAAR1TRPA1F9
SCHEMBL1520922 0.79 TAAR1 (0.54) IDO1TDO2HTR2ATAAR1
SCHEMBL2929189 0.77 LMNA (0.46) IDO1TDO2HTR2ATAAR1
SCHEMBL872713 0.77 GSR (0.53) GSRTRPA1CYP1A2CYP2D6
SCHEMBL2482267 0.77 GSR (0.53) GSRTRPA1CYP1A2CYP2D6

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-20130289083-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2013-10-31 US disclosed
EP-2227233-B1 IDO INHIBITORS NEWLINK GENETICS (US) 2013-02-13 EP disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
EP-2227233-A2 IDO INHIBITORS Newlink Genetics (US) 2010-09-15 EP disclosed
WO-2009073620-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-06-11 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-20110053941-A1 IDO Inhibitors IDO1, IDO2, INMT GSR 1589/4885IDO1 1/4885TDO2 4/4885
US-20130289083-A1 IDO Inhibitors IDO1, IDO2, INMT GSR 1606/4885IDO1 1/4885TDO2 4/4885

“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.