SCHEMBL337909

SCHEMBL337909

CC(C)(C)OC(=O)NCc1cc2nccn2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
NAMPT P43490 3/20 0.39
SUV39H2 Q9H5I1 7/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 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
SCHEMBL4767528 0.85 CNR1 (0.40) NAMPTSMN1; SMN2CNR1
SCHEMBL339005 0.81 IDO1 (0.40) IDO1FNTAFNTBALDH1A1HPGD
SCHEMBL338256 0.81 IDO1 (0.40) IDO1FNTAFNTBSUV39H2ALDH1A1
SCHEMBL337927 0.80 IDO1 (0.39) IDO1FNTAFNTBALDH1A1HPGD
SCHEMBL339441 0.80 IDO1 (0.41) IDO1FNTAFNTBSUV39H2ALDH1A1
SCHEMBL339219 0.79 IDO1 (0.47) IDO1FNTAFNTBALDH1A1HPGD
SCHEMBL1913156 0.79 EGLN2 (0.41) KDM4EKMT2A
SCHEMBL339442 0.78 NAMPT (0.40) NAMPTSUV39H2KDM4EBRD4
SCHEMBL338980 0.78 IDO1 (0.39) IDO1ALDH1A1HPGDHTTKDM4E
SCHEMBL339524 0.77 EPHX2 (0.46) IDO1FNTAFNTBALDH1A1HPGD

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 10 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

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 1621/4885FNTA 1792/4885FNTB 1044/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC IDO1 1621/4885FNTA 1792/4885FNTB 1044/4885

“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.