SCHEMBL1030554

SCHEMBL1030554

CCOC(=O)c1cc2c(OC)cccc2cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 5/20 0.46
LMNA P02545 3/20 0.44
GALR2 O43603 1/20 0.44
MITF O75030 1/20 0.44
POLB P06746 1/20 0.44
HSP90AA1 P07900 1/20 0.44
XBP1 P17861 1/20 0.44
CCR6 P51684 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 3/20 0.44
CDC25B P30305 3/20 0.43
MEN1 O00255 2/20 0.43
PKM P14618 1/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42

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
SCHEMBL5256338 0.82 TSHR (0.53) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL2333730 0.81 HTT (0.59) ALDH1A1HPGDKDM4EMAPTLMNA
SCHEMBL1029036 0.80 KDM4E (0.51) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL1029859 0.80 KDM4E (0.51) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL2331208 0.77 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EMAPTLMNA
SCHEMBL8263297 0.76 MEN1 (0.55) ALDH1A1HPGDKDM4EMAPTLMNA
SCHEMBL3481205 0.74 TSHR (0.64) ALDH1A1HPGDKDM4EMAPTLMNA
SCHEMBL5253504 0.74 MAPT (0.48) ALDH1A1HPGDKDM4EMAPTLMNA
SCHEMBL5258029 0.74 MAPT (0.48) ALDH1A1HPGDKDM4EMAPTLMNA
SCHEMBL27474529 0.73 ALDH1A1 (0.57) ALDH1A1HPGDKDM4EMAPTLMNA

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 ALDH1A1 504/4885HPGD 999/4885KDM4E 1638/4885
US-20080318975-A1 Indolylmaleimide Derivatives IDH3A, INMT, IDH3B ALDH1A1 41/4885HPGD 812/4885KDM4E 207/4885

“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.