SCHEMBL989799

SCHEMBL989799

CN1CCN(c2cnc([N+](=O)[O-])c(CC(N)=O)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 5/20 0.41
MAPT P10636 2/20 0.41
MET P08581 4/20 0.41
ALDH1A1 P00352 1/20 0.39
PTK2 Q05397 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
HTR3A P46098 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP11B2 P19099 1/20 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
SCHEMBL990666 0.86 SIRT6 (0.46) SIRT6MAPTMETALDH1A1MAPK1
SCHEMBL27678434 0.81 MET (0.43) SIRT6MAPTMETALDH1A1MAPK1
SCHEMBL3549535 0.78 SIRT6 (0.62) SIRT6MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL990803 0.76 MAPT (0.45) SIRT6MAPTMETALDH1A1MAPK1
SCHEMBL24073869 0.74 SIRT6 (0.60) SIRT6MAPTMETALDH1A1LMNA
SCHEMBL990623 0.70 NOS3 (0.51) CYP11B2
SCHEMBL3546618 0.70 MAPT (0.55) SIRT6MAPTALDH1A1MAPK1LMNA
SCHEMBL989945 0.70 HTR3A (0.43) L3MBTL1HTR3A
SCHEMBL13405746 0.70 ALDH1A1 (0.48) SIRT6MAPTMETALDH1A1MAPK1
SCHEMBL2256754 0.69 SIRT6 (0.52) SIRT6MAPTMETALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745037-B1 Indolylmaleimide derivatives as inhibitors for the treatment of graft rejection or autoimmune diseases NOVARTIS AG (CH) 2013-01-02 EP disclosed
EP-2270001-A1 Indolylmaleimide derivatives as PKC inhibitors Novartis AG (CH) 2011-01-05 EP disclosed
CN-101933926-A Indolylmaleimde derivatives as PKC inhibitors NOVARTIS AG 2011-01-05 CN disclosed
CN-1910173-B Indolylmaleimide derivatives as PKC inhibitors NOVARTIS AG 2010-06-09 CN disclosed
US-7648989-B2 Indolylmaleimide derivatives as PKC inhibitors NOVARTIS AG (CH) 2010-01-19 US disclosed
US-20080242675-A1 Indolylmaleimide Derivatives as Pkc Inhibitors NOVARTIS AG (CH) 2008-10-02 US disclosed
CN-1910173-A Indolylmaleimide derivatives as PKC inhibitors NOVARTIS AG (CH) 2007-02-07 CN disclosed
EP-1745037-A1 INDOLYLMALEIMIDE DERIVATIVES AS PKC INHIBITORS Novartis AG (CH) 2007-01-24 EP disclosed
WO-2005068455-A1 INDOLYLMALEIMDE DERIVATIVES AS PKC INHIBITORS NOVARTIS AG (CH) 2005-07-28 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 (1 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-20080242675-A1 Indolylmaleimide Derivatives as Pkc Inhibitors PRKCE, PRKCH, PRKCI SIRT6 1801/4885MAPT 3424/4885MET 2767/4885

“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.