SCHEMBL1521114

SCHEMBL1521114

NOCc1cc(Cl)cc(-c2ccc(Cl)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 14/20 0.64
AGXT P21549 9/20 0.59
CYP3A4 P08684 2/20 0.52
AHR P35869 1/20 0.41
MAOB P27338 1/20 0.40
CHKA P35790 1/20 0.39

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
SCHEMBL1521149 0.80 AGXT (0.73) IDO1AGXTCYP3A4
SCHEMBL1520698 0.80 IDO1 (1.00) IDO1AGXTCYP3A4
Hydrochloric Acid SCHEMBL14686234 0.79 AGXT (0.71) IDO1AGXTCYP3A4
Hydrochloric Acid SCHEMBL1716117 0.78 IDO1 (1.00) IDO1AGXTCYP3A4
SCHEMBL1520291 0.75 IDO1 (1.00) IDO1AGXTCYP3A4
SCHEMBL14686242 0.75 FFAR4 (0.51) AHRMAOBCHKA
Hydrochloric Acid SCHEMBL1715739 0.73 IDO1 (1.00) IDO1AGXTCYP3A4
SCHEMBL4246853 0.72 AHR (0.62) AHRMAOBCHKA
SCHEMBL1520810 0.71 IDO1 (0.72) IDO1AGXTCYP3A4
SCHEMBL30079884 0.68 IDO1 (1.00) IDO1AGXTCYP3A4MAOB

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 IDO1 1/4885AGXT 365/4885CYP3A4 413/4885
US-20130289083-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885AGXT 285/4885CYP3A4 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.