SCHEMBL1521135

SCHEMBL1521135

NO[C@H](CCO)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 10/20 0.49
TDO2 P48775 7/20 0.49
TRPA1 O75762 1/20 0.44
GSR P00390 1/20 0.42
HRH1 P35367 2/20 0.40
HTR2A P28223 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
SLC6A4 P31645 1/20 0.37
SRR Q9GZT4 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
IDO2 Q6ZQW0 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
SCHEMBL1520935 1.00 IDO1 (0.49) IDO1TDO2TRPA1GSRHRH1
SCHEMBL1520937 1.00 IDO1 (0.49) IDO1TDO2TRPA1GSRHRH1
SCHEMBL1520614 0.88 IDO1 (0.46) IDO1TDO2TRPA1GSRHRH1
SCHEMBL18982890 0.83 TRPA1 (0.47) TRPA1GSRHRH1HTR2ATAAR1
SCHEMBL1521287 0.83 GSR (0.53) IDO1TDO2TRPA1GSRHTR2A
SCHEMBL1520670 0.81 HRH1 (0.58) IDO1TDO2HRH1HTR2ATAAR1
SCHEMBL5799572 0.79 IDO1 (0.49) IDO1TDO2HRH1HTR2ATAAR1
SCHEMBL1832901 0.79 TRPA1 (0.48) TRPA1GSRHRH1HTR2ASLC6A4
SCHEMBL7090878 0.79 TRPA1 (0.44) TRPA1GSRHRH1HTR2ASLC6A4
SCHEMBL12530561 0.79 TRPA1 (0.48) TRPA1GSRHRH1HTR2ASLC6A4

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 IDO1 1/4885TDO2 4/4885TRPA1 4051/4885
US-20130289083-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885TDO2 4/4885TRPA1 3995/4885

“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.