SCHEMBL1028100

SCHEMBL1028100

CCOC(=O)Cc1c(Cl)ccc2ccc(CN(CCF)C(=O)OC(C)(C)C)cc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.34
HDAC3 O15379 3/20 0.34
HDAC2 Q92769 3/20 0.34
NCOR2 Q9Y618 3/20 0.34
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 4/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 5/20 0.31
NPSR1 Q6W5P4 2/20 0.31
KMT2A Q03164 2/20 0.31
HTT P42858 3/20 0.31
THRB P10828 2/20 0.31
ALDH1A1 P00352 2/20 0.31
GLA P06280 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
ATM Q13315 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL1027460 0.89 HDAC1 (0.34) HDAC1HDAC3HDAC2NCOR2LMNA
SCHEMBL1030722 0.88 GRM2 (0.35) HDAC1HDAC3HDAC2NCOR2SSTR4
SCHEMBL989779 0.79 CYP4F2 (0.40) CYP4F2CYP4A11L3MBTL1LMNAKDM4E
Dimethylamine SCHEMBL5206984 0.76 KDM4E (0.39) CYP4F2CYP4A11L3MBTL1LMNAKDM4E
SCHEMBL1750787 0.75 SSTR4 (0.39) HDAC1HDAC3HDAC2NCOR2SSTR4
SCHEMBL1751180 0.74 SSTR4 (0.36) HDAC1HDAC3HDAC2NCOR2KDM4E
SCHEMBL3588780 0.71 CYP4F2 (0.40) CYP4F2CYP4A11L3MBTL1LMNAKDM4E
SCHEMBL1751219 0.71 PYCR1 (0.34) HDAC1HDAC3HDAC2NCOR2SSTR4
SCHEMBL991440 0.70 KDM4E (0.43) LMNAKDM4EMAPTKMT2AALDH1A1
SCHEMBL12877106 0.70 HDAC1 (0.39) HDAC1HDAC3HDAC2NCOR2CYP4F2

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 HDAC1 362/4885HDAC3 576/4885HDAC2 323/4885
US-20080318975-A1 Indolylmaleimide Derivatives IDH3A, INMT, IDH3B HDAC1 1077/4885HDAC3 891/4885HDAC2 928/4885

“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.