SCHEMBL1859313

SCHEMBL1859313

NOCc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 15/20 1.00
AGXT P21549 3/20 0.47
PYCR1 P32322 1/20 0.47
SLC6A4 P31645 1/20 0.46
CYP3A4 P08684 1/20 0.46
GPR84 Q9NQS5 1/20 0.46
MAOB P27338 1/20 0.45

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
SCHEMBL1716084 0.80 IDO1 (0.67) IDO1AGXT
SCHEMBL39753 0.79 IDO1 (0.66) IDO1PYCR1GPR84
SCHEMBL10656615 0.79 IDO1 (0.65) IDO1PYCR1SLC6A4CYP3A4GPR84
SCHEMBL1716147 0.79 IDO1 (0.65) IDO1AGXT
Hydrochloric Acid SCHEMBL1715172 0.79 IDO1 (0.68) IDO1AGXT
Hydrochloric Acid SCHEMBL1716080 0.77 IDO1 (0.66) IDO1AGXT
SCHEMBL932921 0.77 IDO1 (0.62) IDO1PYCR1SLC6A4GPR84
SCHEMBL11229326 0.77 IDO1 (0.62) IDO1PYCR1SLC6A4GPR84MAOB
SCHEMBL30080027 0.77 IDO1 (1.00) IDO1AGXTCYP3A4
SCHEMBL992105 0.77 IDO1 (1.00) IDO1AGXTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3272736-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS NOVARTIS AG (CH) 2018-01-24 EP disclosed
EP-3138835-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS NOVARTIS AG (CH) 2017-03-08 EP disclosed
EP-2514743-B1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS NOVARTIS AG (CH) 2016-12-14 EP disclosed
CN-102875413-A Immunosuppressant compounds and compositions IRM LLC 2013-01-16 CN disclosed
EP-2514743-A1 Immunosuppressant Compounds and Compositions IRM LLC (BM) 2012-10-24 EP disclosed
CN-1791395-B Immunosuppressant compounds and compositions IRM LLC 2012-09-26 CN disclosed
US-7939519-B2 Immunosuppresant compounds and compositions NOVARTIS AG (CH) 2011-05-10 US disclosed
US-20090036423-A1 IMMUNOSUPPRESANT COMPOUNDS AND COMPOSITIONS NOVARTIS PHARMACEUTICALS CORPORATION 2009-02-05 US disclosed
EP-1633336-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2008-10-29 EP disclosed
CN-1791395-A Immunosuppressant compounds and compositions IRM LLC (BM) 2006-06-21 CN disclosed
EP-1633336-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-03-15 EP disclosed
US-20050014728-A1 Immunosuppressant compounds and compositions IRM LLC 2005-01-20 US disclosed
WO-2004103306-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2004-12-02 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-20050014728-A1 Immunosuppressant compounds and compositions ICOS, EDNRA, NFATC1 IDO1 28/4885AGXT 3758/4885PYCR1 480/4885
US-20090036423-A1 IMMUNOSUPPRESANT COMPOUNDS AND COMPOSITIONS EDNRA, NFATC1, FCGR1A IDO1 29/4885AGXT 3924/4885PYCR1 637/4885

“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.