SCHEMBL1029232

SCHEMBL1029232

CCN(CC)C(=O)c1c(C=O)cccc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 1/20 0.51
ERN1 O75460 1/20 0.51
TLR1 Q15399 1/20 0.51
TLR6 Q9Y2C9 1/20 0.51
SRC P12931 1/20 0.48
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA12 O43570 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CYP1A2 P05177 2/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
BLM P54132 1/20 0.44
ALDH1A1 P00352 5/20 0.43
HPGD P15428 3/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
ALOX15 P16050 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
SCHEMBL17877031 0.80 HPGD (0.41) CYP1A2HSP90AA1HSP90AB1ALDH1A1HPGD
SCHEMBL26124926 0.79 TDP1 (0.50) ERN1CYP1A2ALDH1A1HPGDMAPT
SCHEMBL28391820 0.78 ERN1 (0.53) ERN1SRCCYP1A2HSP90AA1HSP90AB1
SCHEMBL29957098 0.78 CA1 (0.69) TLR2ERN1TLR1TLR6SRC
SCHEMBL11739432 0.78 CA1 (0.69) TLR2ERN1TLR1TLR6SRC
SCHEMBL26639062 0.77 NQO2 (0.49) CYP1A2MAPTLMNANFE2L2MEN1
SCHEMBL26639050 0.77 NQO2 (0.49) CYP1A2MAPTLMNANFE2L2MEN1
SCHEMBL7224016 0.77 HPGD (0.39) HSP90AA1HSP90AB1ALDH1A1HPGDMAPT
SCHEMBL7311111 0.76 ERN1 (0.59) TLR2ERN1TLR1TLR6SRC
SCHEMBL16009131 0.76 ERN1 (0.59) TLR2ERN1TLR1TLR6SRC

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
US-8426440-B2 Indolymaleimide derivatives NOVARTIS AG (CH) 2013-04-23 US 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-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-20080318975-A1 Indolylmaleimide Derivatives NOVARTIS AG (CH) 2008-12-25 US disclosed
EP-1904482-A2 INDOLYLMALEIMIDE DERIVATIVES Novartis AG (CH) 2008-04-02 EP disclosed
WO-2007006533-A2 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2007-01-18 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-20100273774-A1 INDOLYMALEIMIDE DERIVATIVES IDO1, INMT, IDO2 TLR2 3999/4885ERN1 1936/4885TLR1 3760/4885
US-20080318975-A1 Indolylmaleimide Derivatives IDH3A, INMT, IDH3B TLR2 4520/4885ERN1 3370/4885TLR1 4573/4885

“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.