SCHEMBL4591386

SCHEMBL4591386

COc1ccc(-c2c3n(c4cc(OC)c(OC)cc24)CCNC3=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
PTPN1 P18031 1/20 0.41
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
PDE4A P27815 1/20 0.40
CDK5 Q00535 3/20 0.38
CDK5R1 Q15078 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.37
RIPK3 Q9Y572 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE10A Q9Y233 1/20 0.36
CHEK1 O14757 1/20 0.35

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
SCHEMBL4591110 0.89 PARP1 (0.42) PARP1PTPN1KDM4EHPGDALDH1A1
SCHEMBL5160476 0.82 KDM4E (0.47) KDM4EHPGDALDH1A1MAPTPDE4A
SCHEMBL5159236 0.82 EDNRA (0.40) PARP1PTPN1KDM4EHPGDHIF1A
SCHEMBL5162453 0.80 PDE4A (0.41) KDM4EHPGDALDH1A1MAPTPDE4A
SCHEMBL4592770 0.77 HTR2A (0.45) KDM4EHPGDALDH1A1MAPTL3MBTL1
Hydrochloric Acid SCHEMBL4592005 0.76 HTR2A (0.44) KDM4EHPGDALDH1A1MAPTMEN1
SCHEMBL4592544 0.75 KDM4E (0.41) KDM4EHPGDALDH1A1MAPTL3MBTL1
SCHEMBL17046648 0.72 PARP1 (0.54) PARP1KDM4EHPGDALDH1A1MEN1
SCHEMBL15563334 0.72 PARP1 (0.48) PARP1PTPN1
SCHEMBL4592565 0.71 MTNR1A (0.43) KDM4EHPGDL3MBTL1HIF1AMEN1

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 15 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
US-20080317857-A1 V-Atpase Inhibitors of Use in the Treatment of Septic Shock BRANE DISCOVERY S.R.L. (IT) 2008-12-25 US disclosed
US-20080317857-A1 V-Atpase Inhibitors of Use in the Treatment of Septic Shock BRANE DISCOVERY S.R.L. (IT) 2008-12-25 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-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
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 (3 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 PARP1 426/4885PTPN1 2294/4885KDM4E 512/4885
US-20080226718-A1 Indole and Azaindole Derivatives For the Treatment of Inflammatory and Autoimmune Diseases IDO1, IDO2, INMT PARP1 1883/4885PTPN1 780/4885KDM4E 902/4885
US-20080317857-A1 V-Atpase Inhibitors of Use in the Treatment of Septic Shock ATP6V1E1, ATP6V1H, ATP6V1G1 PARP1 2972/4885PTPN1 3621/4885KDM4E 3457/4885

“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.