SCHEMBL1521149

SCHEMBL1521149

NOCc1cccc(-c2ccc(Cl)cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGXT P21549 14/20 0.73
IDO1 P14902 15/20 0.65
CYP3A4 P08684 2/20 0.65
TAAR1 Q96RJ0 1/20 0.49
AOC3 Q16853 1/20 0.48

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
Hydrochloric Acid SCHEMBL14686234 0.98 AGXT (0.71) AGXTIDO1CYP3A4AOC3
SCHEMBL1521029 0.85 AGXT (1.00) AGXTIDO1CYP3A4
SCHEMBL1521252 0.82 AGXT (0.73) AGXTIDO1CYP3A4
SCHEMBL1521114 0.80 IDO1 (0.64) AGXTIDO1CYP3A4
SCHEMBL3723971 0.79 TAAR1 (0.69) TAAR1AOC3
SCHEMBL1520718 0.79 AGXT (0.69) AGXTIDO1
SCHEMBL30079884 0.79 IDO1 (1.00) AGXTIDO1CYP3A4TAAR1
SCHEMBL403680 0.79 IDO1 (1.00) AGXTIDO1CYP3A4TAAR1
SCHEMBL1521290 0.79 AGXT (0.73) AGXTIDO1CYP3A4
Hydrochloric Acid SCHEMBL184282 0.78 TAAR1 (0.67) TAAR1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2227233-B1 IDO INHIBITORS NEWLINK GENETICS (US) 2013-02-13 EP claimed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US claimed
EP-2227233-A2 IDO INHIBITORS Newlink Genetics (US) 2010-09-15 EP claimed
WO-2009073620-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-06-11 WO claimed
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
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 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 (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 AGXT 365/4885IDO1 1/4885CYP3A4 413/4885
US-20130289083-A1 IDO Inhibitors IDO1, IDO2, INMT AGXT 285/4885IDO1 1/4885CYP3A4 499/4885

“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.