SCHEMBL339524

SCHEMBL339524

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
IDO1 P14902 2/20 0.44
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 2/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPKAPK2 P49137 2/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
GAA P10253 1/20 0.38
GCGR P47871 2/20 0.38

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
SCHEMBL339219 0.90 IDO1 (0.47) EPHX2IDO1ALDH1A1HPGDHTT
SCHEMBL337995 0.88 IDO1 (0.43) EPHX2IDO1ALDH1A1HPGDHTT
SCHEMBL339005 0.81 IDO1 (0.40) EPHX2IDO1ALDH1A1HPGDHTT
SCHEMBL339441 0.78 IDO1 (0.41) IDO1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL338256 0.77 IDO1 (0.40) IDO1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL337909 0.77 IDO1 (0.41) IDO1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL337927 0.77 IDO1 (0.39) IDO1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL1913157 0.76 NOS3 (0.44) EPHX2ALDH1A1KDM4EGAA
SCHEMBL337994 0.76 KDM4A (0.39) KDM4EMAPKAPK2
SCHEMBL21987982 0.75 IDO1 (0.51) EPHX2IDO1ALDH1A1HPGDHTT

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 EPHX2 3864/4885IDO1 1621/4885ALDH1A1 480/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC EPHX2 3864/4885IDO1 1621/4885ALDH1A1 480/4885

“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.