SCHEMBL4468841

SCHEMBL4468841

COc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OC(c3ccccc3)(c3ccccc3)O4)CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.63
MAPT P10636 4/20 0.57
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
PKM P14618 4/20 0.56
ALDH1A1 P00352 2/20 0.56
PKLR P30613 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
TSHR P16473 2/20 0.54
KDM4E B2RXH2 1/20 0.54
USP2 O75604 1/20 0.54
HSD17B10 Q99714 1/20 0.54
LMNA P02545 5/20 0.53
POLB P06746 1/20 0.50
PTPN11 Q06124 1/20 0.49
HTT P42858 1/20 0.49
MAPK1 P28482 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
SCHEMBL4467841 0.91 MAPT (0.66) CNR1MAPTKMT2AMEN1PKM
SCHEMBL4461762 0.88 CNR1 (0.76) CNR1KMT2AMEN1PKMALDH1A1
SCHEMBL4462682 0.87 CNR1 (0.67) CNR1MAPTKMT2AMEN1PKM
SCHEMBL4468271 0.83 LMNA (0.64) CNR1MAPTKMT2AMEN1ALDH1A1
SCHEMBL4468447 0.82 CNR1 (0.81) CNR1MAPTKMT2AMEN1PKM
SCHEMBL4460213 0.82 CNR1 (0.65) CNR1MAPTKMT2AMEN1PKM
SCHEMBL4467923 0.81 CNR1 (0.68) CNR1MAPTKMT2AMEN1PKM
SCHEMBL4463323 0.81 CNR1 (0.68) CNR1MAPTKMT2AMEN1PKM
SCHEMBL4468884 0.81 CNR1 (0.77) CNR1PKMPKLRTSHRLMNA
SCHEMBL4460822 0.79 CNR1 (0.97) CNR1KMT2AMEN1PKMALDH1A1

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-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US claimed
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP claimed
EP-1532132-A1 NOVEL BENZODIOXOLES F.HOFFMANN-LA ROCHE AG (CH) 2005-05-25 EP claimed
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US claimed
WO-2004013120-A1 NOVEL BENZODIOXOLES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-12 WO claimed
US-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
US-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
US-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
US-20050143373-A1 Benzodioxole derivatives ALANINE ALEXANDER (FR) 2005-06-30 US disclosed
US-6900227-B2 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-31 US disclosed
EP-1532132-A1 NOVEL BENZODIOXOLES F.HOFFMANN-LA ROCHE AG (CH) 2005-05-25 EP disclosed
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US disclosed
WO-2004013120-A1 NOVEL BENZODIOXOLES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-12 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-20050143373-A1 Benzodioxole derivatives CNR2, CNR1, GPR119 CNR1 2/4885MAPT 4230/4885KMT2A 3200/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 CNR1 1/4885MAPT 4527/4885KMT2A 3559/4885

“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.