SCHEMBL339219

SCHEMBL339219

CC(C)(C)OC(=O)NCc1cc(Cl)ncc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 2/20 0.43
GLA P06280 1/20 0.43
MAPT P10636 1/20 0.43
XBP1 P17861 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CNR1 P21554 2/20 0.40
CNR2 P34972 1/20 0.40
GAA P10253 1/20 0.40
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
ANO1 Q5XXA6 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
SCHEMBL339524 0.90 EPHX2 (0.46) IDO1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL337995 0.88 IDO1 (0.43) IDO1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL339005 0.80 IDO1 (0.40) IDO1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL338256 0.80 IDO1 (0.40) IDO1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL337909 0.79 IDO1 (0.41) IDO1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL337927 0.79 IDO1 (0.39) IDO1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL27988801 0.78 IDO1 (0.53) IDO1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL25835684 0.77 IDO1 (0.41) IDO1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL13881841 0.77 AAK1 (0.43) IDO1KDM4EGAASTK17BSTK17A
SCHEMBL339441 0.77 IDO1 (0.41) IDO1ALDH1A1HPGDHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
EP-2004643-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007113226-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-11 WO disclosed
WO-2007113226-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-11 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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC IDO1 1621/4885ALDH1A1 480/4885HPGD 934/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC IDO1 1621/4885ALDH1A1 480/4885HPGD 934/4885

“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.