SCHEMBL4591895

SCHEMBL4591895

COc1ccc(-c2c(CNC(C)=O)[nH]c3cc(OC)c(OC)cc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
MTNR1A P48039 10/20 0.47
MTNR1B P49286 10/20 0.47
CYP1A2 P05177 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDE10A Q9Y233 1/20 0.44
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
MAP2 P11137 1/20 0.41

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
Hydrochloric Acid SCHEMBL5162033 0.83 KDM4E (0.49) KDM4EALDH1A1MAPTHPGDMTNR1A
SCHEMBL5160054 0.81 KDM4E (0.52) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
Methanesulfonamide SCHEMBL5176661 0.80 KDM4E (0.46) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL5159739 0.79 KDM4E (0.52) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL4872057 0.78 KDM4E (0.51) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
Methanesulfonamide SCHEMBL4632487 0.77 KDM4E (0.42) KDM4EALDH1A1MAPTHPGDPDE10A
SCHEMBL5427113 0.77 MAPT (0.53) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
Methanesulfonamide SCHEMBL5159051 0.77 KDM4E (0.48) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL5157162 0.77 MAPT (0.54) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL4591801 0.76 KDM4E (0.46) KDM4EALDH1A1MAPTHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080226718-A1 Indole and Azaindole Derivatives For the Treatment of Inflammatory and Autoimmune Diseases BRANE DISCOVERY S.R.L (IT) 2008-09-18 US claimed
EP-1945305-A2 INDOLE AND AZAINDOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRANE DISCOVERY S.R.L. (IT) 2008-07-23 EP claimed
US-20070248672-A1 Indole and Azaindole Derivatives with Antitumor Action NIKEM RESEARCH S.R.L. (IT) 2007-10-25 US claimed
WO-2007048847-A2 INDOLE AND AZAINDOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES NIKEM RESEARCH S.R.L. (IT) 2007-05-03 WO claimed
EP-1750687-A2 INDOLE AND AZAINDOLE DERIVATIVES WITH ANTITUMOR ACTION NIKEM RESEARCH S.R.L. (IT) 2007-02-14 EP claimed
WO-2005105213-A2 INDOLE AND AZAINDOLE DERIVATIVES WITH ANTITUMOR ACTION NIKEM RESEARCH S.R.L. (IT) 2005-11-10 WO claimed
US-20080226718-A1 Indole and Azaindole Derivatives For the Treatment of Inflammatory and Autoimmune Diseases BRANE DISCOVERY S.R.L (IT) 2008-09-18 US disclosed
EP-1945305-A2 INDOLE AND AZAINDOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRANE DISCOVERY S.R.L. (IT) 2008-07-23 EP disclosed
US-20070248672-A1 Indole and Azaindole Derivatives with Antitumor Action NIKEM RESEARCH S.R.L. (IT) 2007-10-25 US disclosed
WO-2007048847-A2 INDOLE AND AZAINDOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES NIKEM RESEARCH S.R.L. (IT) 2007-05-03 WO disclosed
EP-1750687-A2 INDOLE AND AZAINDOLE DERIVATIVES WITH ANTITUMOR ACTION NIKEM RESEARCH S.R.L. (IT) 2007-02-14 EP disclosed
WO-2005105213-A2 INDOLE AND AZAINDOLE DERIVATIVES WITH ANTITUMOR ACTION NIKEM RESEARCH S.R.L. (IT) 2005-11-10 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-20070248672-A1 Indole and Azaindole Derivatives with Antitumor Action IDO1, IDO2, INMT KDM4E 512/4885ALDH1A1 788/4885MAPT 4170/4885
US-20080226718-A1 Indole and Azaindole Derivatives For the Treatment of Inflammatory and Autoimmune Diseases IDO1, IDO2, INMT KDM4E 902/4885ALDH1A1 1731/4885MAPT 4048/4885

“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.