SCHEMBL991313

SCHEMBL991313

CCOC(=O)Cc1c(Cl)ccc2ccc(OC)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.54
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 3/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 1/20 0.46
GLA P06280 1/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MTNR1A P48039 4/20 0.45
MTNR1B P49286 4/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 1/20 0.44
HTR1A P08908 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
GLO1 Q04760 1/20 0.43

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
SCHEMBL3591326 0.91 PTGS2 (0.50) PTGS2CNR1CNR2ALDH1A1GAA
SCHEMBL991440 0.84 KDM4E (0.43) ALDH1A1GAAHPGDKDM4EHSD17B10
SCHEMBL991202 0.82 HSD11B1 (0.39) PTGS2ALDH1A1GAAHPGDKDM4E
SCHEMBL989998 0.82 KDM4E (0.41) PTGS2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL29032170 0.81 KDM4E (0.53) PTGS2CNR1CNR2ALDH1A1GAA
SCHEMBL991950 0.80 ALOX15 (0.40) ALDH1A1HPGDKDM4EHSD17B10GLA
SCHEMBL989779 0.79 CYP4F2 (0.40) ALDH1A1HPGDKDM4EHSD17B10GLA
SCHEMBL14373762 0.78 ALDH1A1 (0.51) PTGS2CNR1CNR2ALDH1A1GAA
SCHEMBL4752950 0.77 MTNR1A (0.59) ALDH1A1GAAHPGDKDM4EGLA
SCHEMBL3586690 0.77 KDM4E (0.42) ALDH1A1GAAHPGDKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426440-B2 Indolymaleimide derivatives NOVARTIS AG (CH) 2013-04-23 US disclosed
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-2246346-B1 Indolylmaleimide derivatives as protein kinase inhibitors NOVARTIS AG (CH) 2012-10-24 EP disclosed
EP-1904482-B1 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2011-01-19 EP disclosed
EP-2270001-A1 Indolylmaleimide derivatives as PKC inhibitors Novartis AG (CH) 2011-01-05 EP disclosed
EP-2246346-A1 Indolylmaleimide derivatives as protein kinase inhibitors Novartis AG (CH) 2010-11-03 EP disclosed
US-20100273774-A1 INDOLYMALEIMIDE DERIVATIVES WAGNER JUERGEN 2010-10-28 US disclosed
US-7781438-B2 Indolylmaleimide derivatives NOVARTIS AG (CH) 2010-08-24 US disclosed
US-7648989-B2 Indolylmaleimide derivatives as PKC inhibitors NOVARTIS AG (CH) 2010-01-19 US disclosed
US-20080318975-A1 Indolylmaleimide Derivatives NOVARTIS AG (CH) 2008-12-25 US disclosed
US-20080242675-A1 Indolylmaleimide Derivatives as Pkc Inhibitors NOVARTIS AG (CH) 2008-10-02 US disclosed
EP-1904482-A2 INDOLYLMALEIMIDE DERIVATIVES Novartis AG (CH) 2008-04-02 EP disclosed
EP-1745037-A1 INDOLYLMALEIMIDE DERIVATIVES AS PKC INHIBITORS Novartis AG (CH) 2007-01-24 EP disclosed
WO-2007006533-A2 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2007-01-18 WO 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 (3 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-20100273774-A1 INDOLYMALEIMIDE DERIVATIVES IDO1, INMT, IDO2 PTGS2 1322/4885CNR1 130/4885CNR2 276/4885
US-20080242675-A1 Indolylmaleimide Derivatives as Pkc Inhibitors PRKCE, PRKCH, PRKCI PTGS2 1642/4885CNR1 3470/4885CNR2 2755/4885
US-20080318975-A1 Indolylmaleimide Derivatives IDH3A, INMT, IDH3B PTGS2 1300/4885CNR1 272/4885CNR2 291/4885

“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.