SCHEMBL4592228

SCHEMBL4592228

COc1ccc(-c2c3n(c4cc(OC)c(OC)cc24)CCN(S(=O)(=O)C(C)C)C3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.40
NPC1 O15118 1/20 0.36
PKLR P30613 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
ABCB1 P08183 6/20 0.35
ABCC1 P33527 2/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
LMNA P02545 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL5161855 0.96 PKM (0.38) PKMNPC1PKLRRAB9AKDM4E
SCHEMBL4592547 0.88 PKM (0.42) PKMNPC1PKLRRAB9AKDM4E
SCHEMBL4592229 0.83 MAPT (0.50) PKMALDH1A1ABCB1ABCC1ABCG2
SCHEMBL4591708 0.82 PKM (0.53) PKMNPC1PKLRRAB9AKDM4E
Hydrochloric Acid SCHEMBL4611337 0.80 ABCB1 (0.37) PKMNPC1RAB9AKDM4EALDH1A1
SCHEMBL4592565 0.79 MTNR1A (0.43) NPC1RAB9AKDM4EABCB1ABCC1
Hydrochloric Acid SCHEMBL4875908 0.78 MTNR1A (0.42) KDM4EALDH1A1ABCB1ABCC1ABCG2
SCHEMBL4592013 0.77 CREBBP (0.45) PKMKDM4EALDH1A1ABCB1ABCC1
SCHEMBL4592515 0.74 CSNK1E (0.47) NPC1ABCB1ABCC1CSNK1E
SCHEMBL5162453 0.72 PDE4A (0.41) NPC1RAB9AKDM4EALDH1A1ABCB1

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 14 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-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
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 (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 PKM 2769/4885NPC1 2721/4885PKLR 3701/4885
US-20080226718-A1 Indole and Azaindole Derivatives For the Treatment of Inflammatory and Autoimmune Diseases IDO1, IDO2, INMT PKM 2963/4885NPC1 4761/4885PKLR 2786/4885
US-20080317857-A1 V-Atpase Inhibitors of Use in the Treatment of Septic Shock ATP6V1E1, ATP6V1H, ATP6V1G1 PKM 2150/4885NPC1 2952/4885PKLR 2989/4885

“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.