SCHEMBL338660

SCHEMBL338660

CC(C)(C)OC(=O)NCc1cc2ncc(N3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.40
EPHX2 P34913 3/20 0.39
PKM P14618 3/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
ENPP2 Q13822 1/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL1913177 0.87 PKM (0.47) PKMGAAKMT2ALMNAMAPT
SCHEMBL339213 0.81 IDO1 (0.38) EPHX2KMT2AMAPTMEN1
SCHEMBL339781 0.81 ALDH1A1 (0.38) KMT2ALMNAMAPTMEN1NPC1
SCHEMBL339323 0.81 ALDH1A1 (0.38) EPHX2KMT2AMAPTMEN1
SCHEMBL339005 0.75 IDO1 (0.40) EPHX2KMT2ALMNAMAPTMEN1
SCHEMBL338256 0.75 IDO1 (0.40) KMT2ALMNAMAPTMEN1POLB
SCHEMBL337927 0.75 IDO1 (0.39) KMT2ALMNAMAPTMEN1POLB
SCHEMBL338980 0.72 IDO1 (0.39) PKMGAAKMT2ALMNAMAPT
SCHEMBL340129 0.71 ALDH1A1 (0.39) NPC1RAB9A
SCHEMBL338896 0.70 ALDH1A1 (0.40) EPHX2

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 MET 1094/4885EPHX2 3864/4885PKM 734/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC MET 1094/4885EPHX2 3864/4885PKM 734/4885

“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.