SCHEMBL1521029

SCHEMBL1521029

NOCc1cccc(-c2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGXT P21549 14/20 1.00
IDO1 P14902 16/20 0.67
CYP3A4 P08684 2/20 0.57

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
SCHEMBL1521290 0.85 AGXT (0.73) AGXTIDO1CYP3A4
SCHEMBL1521149 0.85 AGXT (0.73) AGXTIDO1CYP3A4
SCHEMBL1521252 0.85 AGXT (0.73) AGXTIDO1CYP3A4
Hydrochloric Acid SCHEMBL14686234 0.83 AGXT (0.71) AGXTIDO1CYP3A4
SCHEMBL31580063 0.83 AGXT (0.70) AGXTIDO1
SCHEMBL6667626 0.83 AGXT (0.70) AGXTIDO1
SCHEMBL29193356 0.82 IDO1 (0.86) AGXTIDO1CYP3A4
SCHEMBL1520718 0.82 AGXT (0.69) AGXTIDO1
SCHEMBL437710 0.82 IDO1 (0.71) AGXTIDO1CYP3A4
SCHEMBL1714754 0.80 IDO1 (1.00) AGXTIDO1CYP3A4

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 12 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-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS THE UNIVERSITY OF BATH (GB) 2017-11-30 US disclosed
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
US-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
US-20060142214-A1 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. 2006-06-29 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 (4 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-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS ZYX, MPO, CFB AGXT 82/4885IDO1 794/4885CYP3A4 1287/4885
US-20110053941-A1 IDO Inhibitors IDO1, IDO2, INMT AGXT 365/4885IDO1 1/4885CYP3A4 413/4885
US-20060142214-A1 3,6-bicyclolides ABCB11, CYP2B6, CYP3A7 AGXT 1676/4885IDO1 1074/4885CYP3A4 22/4885
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.