SCHEMBL1521186

SCHEMBL1521186

NOCc1cc(Cl)ccc1-c1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 10/20 0.51
AGXT P21549 5/20 0.51
CYP3A4 P08684 2/20 0.51
DHFR P00374 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
TDO2 P48775 1/20 0.41
MAOB P27338 2/20 0.39
DPP4 P27487 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL1520941 0.88 IDO1 (0.53) IDO1AGXTCYP3A4FFAR1FFAR4
SCHEMBL1520724 0.84 IDO1 (0.56) IDO1AGXTCYP3A4FFAR1FFAR4
SCHEMBL791733 0.83 HTR7 (0.41) DHFRTAAR1FFAR1FFAR4TDO2
SCHEMBL1520857 0.82 IDO1 (0.54) IDO1AGXTCYP3A4DHFR
SCHEMBL12767532 0.80 CYP2A6 (0.47) IDO1CYP3A4FFAR1FFAR4
SCHEMBL1520778 0.78 IDO1 (0.49) IDO1AGXTCYP3A4FFAR1FFAR4
SCHEMBL14686334 0.77 NUDT1 (0.44) IDO1CYP3A4DHFRTAAR1FFAR1
SCHEMBL1520675 0.77 IDO1 (0.56) IDO1AGXTCYP3A4DPP4
SCHEMBL1520777 0.76 IDO1 (0.47) IDO1AGXTFFAR1FFAR4MAOB
SCHEMBL1521194 0.76 IDO1 (0.47) IDO1AGXTCYP3A4FFAR1FFAR4

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
WO-2019051198-A1 PRODRUG INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) LANKENAU INSTITUTE FOR MEDICAL RESEARCH (US) 2019-03-14 WO disclosed
US-8846000-B2 Radiolabeled PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-09-30 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

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.