SCHEMBL3846833

SCHEMBL3846833

Cc1c(C(=O)N2CCOCC2)[nH]c2ccc(OCc3ccccc3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 1.00
MAPT P10636 3/20 1.00
KDM4E B2RXH2 2/20 1.00
HSD17B10 Q99714 2/20 1.00
LMNA P02545 2/20 1.00
HTT P42858 1/20 1.00
PDE3B Q13370 8/20 0.62
PDE3A Q14432 8/20 0.62
ALDH1A1 P00352 3/20 0.58
SMN1; SMN2 Q16637 4/20 0.55
GAA P10253 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
RAB9A P51151 3/20 0.54
KMT2A Q03164 1/20 0.54
NMT2 O60551 1/20 0.54
NMT1 P30419 1/20 0.54
NPC1 O15118 2/20 0.53
TP53 P04637 1/20 0.50
GABRA1 P14867 1/20 0.49
GABRG2 P18507 1/20 0.49

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
SCHEMBL3848767 0.90 KDM4E (0.81) HPGDMAPTKDM4EHSD17B10LMNA
SCHEMBL3846861 0.89 MAPT (0.80) HPGDMAPTKDM4EHSD17B10LMNA
SCHEMBL3849358 0.89 KDM4E (0.80) HPGDMAPTKDM4EHSD17B10LMNA
SCHEMBL5504619 0.83 KDM4E (0.69) HPGDMAPTKDM4EHSD17B10LMNA
SCHEMBL25904024 0.80 ALDH1A1 (0.68) HPGDMAPTKDM4EHSD17B10LMNA
SCHEMBL24470580 0.77 CASP3 (0.68) HPGDMAPTKDM4EHSD17B10LMNA
SCHEMBL24196836 0.76 MAPT (0.61) HPGDMAPTKDM4EHSD17B10LMNA
SCHEMBL25904022 0.76 MAPT (0.60) HPGDMAPTKDM4EHSD17B10LMNA
SCHEMBL29363633 0.74 KDM4E (0.65) HPGDMAPTKDM4EHSD17B10LMNA
SCHEMBL1448590 0.74 ALDH1A1 (0.64) HPGDMAPTKDM4EHSD17B10LMNA

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-20120276141-A1 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE SRIVASTAVA INDRESH K (US) 2012-11-01 US disclosed
US-20120276141-A1 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE SRIVASTAVA INDRESH K (US) 2012-11-01 US disclosed
US-8197819-B2 Exposure of epitopes on envelop protein; complex of polypeptide and antigen; induce immunology response NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-06-12 US disclosed
US-8197819-B2 Exposure of epitopes on envelop protein; complex of polypeptide and antigen; induce immunology response NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-06-12 US disclosed
US-8197819-B2 Exposure of epitopes on envelop protein; complex of polypeptide and antigen; induce immunology response NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-06-12 US disclosed
EP-1773880-A4 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-09-09 EP disclosed
US-20080199492-A1 Env Polypeptide Complexes and Methods Of Use NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2008-08-21 US disclosed
US-20080199492-A1 Env Polypeptide Complexes and Methods Of Use NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2008-08-21 US disclosed
US-20080199492-A1 Env Polypeptide Complexes and Methods Of Use NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2008-08-21 US disclosed
EP-1773880-A2 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE Novartis Vaccines and Diagnostics, Inc. (US) 2007-04-18 EP disclosed
WO-2005121175-A9 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE CHIRON CORP (US) 2006-03-16 WO disclosed
WO-2005121175-A2 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2005-12-22 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-20080199492-A1 Env Polypeptide Complexes and Methods Of Use CD4, CD74, HAVCR2 HPGD 2621/4885MAPT 1790/4885KDM4E 3999/4885
US-20120276141-A1 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE CD4, CD74, HAVCR2 HPGD 2621/4885MAPT 1790/4885KDM4E 3999/4885

“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.