SCHEMBL4591789

SCHEMBL4591789

CNC(=O)c1[nH]c2cc(OC)c(OC)cc2c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
MAPT P10636 6/20 0.49
ALDH1A1 P00352 5/20 0.49
GAA P10253 4/20 0.49
NPSR1 Q6W5P4 3/20 0.49
HPGD P15428 3/20 0.49
HTT P42858 2/20 0.49
PPARG P37231 1/20 0.49
NCOA2 Q15596 1/20 0.49
NCOA1 Q15788 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GPR35 Q9HC97 1/20 0.49
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
POLB P06746 1/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
GFER P55789 2/20 0.47
HSD17B10 Q99714 1/20 0.47
RCE1 Q9Y256 1/20 0.46

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
SCHEMBL5161760 0.87 ALDH1A1 (0.60) KDM4EMAPTALDH1A1GAANPSR1
SCHEMBL4592847 0.87 GPR35 (0.65) KDM4EMAPTALDH1A1GAANPSR1
SCHEMBL4592067 0.84 MAP2 (0.61) KDM4EMAPTALDH1A1GAANPSR1
SCHEMBL14527692 0.82 ALDH1A1 (0.56) KDM4EMAPTALDH1A1GAANPSR1
SCHEMBL4885700 0.82 GPR35 (0.49) KDM4EMAPTALDH1A1GAANPSR1
SCHEMBL4591940 0.80 ALDH1A1 (0.67) KDM4EMAPTALDH1A1GAANPSR1
SCHEMBL14527592 0.79 GPR35 (0.58) KDM4EMAPTALDH1A1GAANPSR1
SCHEMBL24074569 0.78 MAP2 (0.70) KDM4EMAPTALDH1A1GAAHPGD
Dimethylamine SCHEMBL4592140 0.78 MAPT (0.46) KDM4EMAPTALDH1A1HPGDHTT
SCHEMBL5159252 0.78 KDM4E (0.63) KDM4EMAPTALDH1A1GAANPSR1

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
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
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
US-20070248672-A1 Indole and Azaindole Derivatives with Antitumor Action NIKEM RESEARCH S.R.L. (IT) 2007-10-25 US 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 512/4885MAPT 4170/4885ALDH1A1 788/4885
US-20080226718-A1 Indole and Azaindole Derivatives For the Treatment of Inflammatory and Autoimmune Diseases IDO1, IDO2, INMT KDM4E 902/4885MAPT 4048/4885ALDH1A1 1731/4885

“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.