SCHEMBL3829032

SCHEMBL3829032

COc1cc(C(=O)N2CCN(Cc3c[nH]c4ccccc34)CC2)cc(OC)c1OC

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.69
KMT2A Q03164 4/20 0.69
ALDH1A1 P00352 6/20 0.63
MEN1 O00255 3/20 0.61
KDM4E B2RXH2 3/20 0.61
CYP1A2 P05177 1/20 0.58
HTT P42858 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MAPK1 P28482 1/20 0.56
HSD17B10 Q99714 1/20 0.56
BCHE P06276 1/20 0.55
CYP2D6 P10635 1/20 0.55

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
SCHEMBL4999941 0.84 KMT2A (0.94) LMNAKMT2AALDH1A1MEN1KDM4E
SCHEMBL13563662 0.84 ALDH1A1 (0.64) LMNAKMT2AALDH1A1MEN1CYP1A2
SCHEMBL11847732 0.79 KDM4E (0.76) LMNAKMT2AALDH1A1MEN1KDM4E
SCHEMBL3825736 0.78 ALDH1A1 (0.61) KMT2AALDH1A1MEN1KDM4ECYP1A2
SCHEMBL17482339 0.78 BCHE (0.69) LMNAKMT2AMEN1KDM4EHTT
SCHEMBL15303789 0.76 KDM4E (0.83) LMNAKMT2AALDH1A1MEN1KDM4E
SCHEMBL11843383 0.76 MEN1 (0.52) KMT2AMEN1SMN1; SMN2
SCHEMBL13563659 0.75 ALDH1A1 (0.57) KMT2AALDH1A1MEN1KDM4ECYP1A2
Hydrochloric Acid SCHEMBL10334554 0.75 KDM4E (0.81) LMNAKMT2AALDH1A1MEN1KDM4E
SCHEMBL10520895 0.74 POLB (0.83) LMNAKMT2AALDH1A1MEN1KDM4E

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 11 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-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 LMNA 4015/4885KMT2A 4731/4885ALDH1A1 4880/4885
US-20120276141-A1 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE CD4, CD74, HAVCR2 LMNA 4015/4885KMT2A 4731/4885ALDH1A1 4880/4885

“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.