SCHEMBL4879508

SCHEMBL4879508

COc1cc2[nH]c(C(=O)N3CCOCC3)c(-c3ccccc3)c2cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 3/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
PIN1 Q13526 1/20 0.44
GLA P06280 1/20 0.44
JAK2 O60674 2/20 0.44
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 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
Dimethylamine SCHEMBL4592140 0.97 MAPT (0.46) MAPTKDM4EHPGDHSD17B10LMNA
SCHEMBL4592168 0.93 MAPT (0.43) MAPTKDM4EHPGDHSD17B10LMNA
SCHEMBL3950606 0.80 HSD17B10 (0.49) MAPTKDM4EHPGDHSD17B10LMNA
SCHEMBL4592847 0.80 GPR35 (0.65) MAPTKDM4EHPGDHSD17B10HTT
SCHEMBL4592067 0.78 MAP2 (0.61) MAPTKDM4EHPGDHSD17B10HTT
SCHEMBL5161760 0.78 ALDH1A1 (0.60) MAPTKDM4EHPGDHSD17B10LMNA
SCHEMBL3943871 0.77 MAPT (0.67) MAPTKDM4EHPGDHSD17B10LMNA
SCHEMBL4591940 0.76 ALDH1A1 (0.67) MAPTKDM4EHPGDHSD17B10LMNA
SCHEMBL4885700 0.76 GPR35 (0.49) MAPTKDM4EHPGDHSD17B10HTT
SCHEMBL4591789 0.76 KDM4E (0.49) MAPTKDM4EHPGDHSD17B10LMNA

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 8 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
US-20070248672-A1 Indole and Azaindole Derivatives with Antitumor Action NIKEM RESEARCH S.R.L. (IT) 2007-10-25 US 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 MAPT 4170/4885KDM4E 512/4885HPGD 253/4885
US-20080226718-A1 Indole and Azaindole Derivatives For the Treatment of Inflammatory and Autoimmune Diseases IDO1, IDO2, INMT MAPT 4048/4885KDM4E 902/4885HPGD 953/4885

“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.