SCHEMBL4467923

SCHEMBL4467923

O=S(=O)(c1ccc2c(c1)OC(c1ccccc1)(c1ccccc1)O2)N1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.68
LMNA P02545 7/20 0.57
PKM P14618 4/20 0.57
ALDH1A1 P00352 3/20 0.53
HTT P42858 3/20 0.53
PKLR P30613 2/20 0.51
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 2/20 0.51
HSD11B1 P28845 1/20 0.49
THRB P10828 1/20 0.48
MEN1 O00255 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CREBBP Q92793 1/20 0.46
POLB P06746 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45

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
SCHEMBL4461762 0.92 CNR1 (0.76) CNR1LMNAPKMALDH1A1HTT
SCHEMBL4462682 0.90 CNR1 (0.67) CNR1LMNAPKMALDH1A1HTT
SCHEMBL4463323 0.89 CNR1 (0.68) CNR1LMNAPKMALDH1A1PKLR
SCHEMBL4463119 0.88 CNR1 (0.67) CNR1LMNAPKMALDH1A1HTT
SCHEMBL4460888 0.87 CNR1 (0.71) CNR1LMNAPKMALDH1A1HTT
SCHEMBL4467841 0.86 MAPT (0.66) CNR1LMNAPKMALDH1A1PKLR
SCHEMBL4460213 0.85 CNR1 (0.65) CNR1LMNAPKMALDH1A1HTT
SCHEMBL4460146 0.83 CNR1 (0.79) CNR1LMNAPKMALDH1A1PKLR
SCHEMBL4460822 0.82 CNR1 (0.97) CNR1LMNAPKMALDH1A1PKLR
SCHEMBL4467464 0.82 CNR1 (0.77) CNR1LMNAPKMALDH1A1HTT

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 2/4885LMNA 3995/4885PKM 2705/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 CNR1 1/4885LMNA 4186/4885PKM 2924/4885

“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.