SCHEMBL4467841

SCHEMBL4467841

COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OC(c3ccccc3)(c3ccccc3)O4)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.66
KMT2A Q03164 2/20 0.66
MEN1 O00255 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
CNR1 P21554 2/20 0.64
PKM P14618 3/20 0.63
ALDH1A1 P00352 1/20 0.63
LMNA P02545 3/20 0.60
TSHR P16473 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
KDM4E B2RXH2 1/20 0.54
PKLR P30613 1/20 0.54
GAA P10253 1/20 0.53
HSD11B1 P28845 1/20 0.53
HSD17B10 Q99714 1/20 0.53
POLB P06746 3/20 0.52
TNF P01375 1/20 0.49
NOD1 Q9Y239 1/20 0.49
THRB P10828 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
SCHEMBL4468841 0.91 CNR1 (0.63) MAPTKMT2AMEN1L3MBTL1CNR1
SCHEMBL4461762 0.89 CNR1 (0.76) KMT2AMEN1L3MBTL1CNR1PKM
SCHEMBL4468447 0.88 CNR1 (0.81) MAPTKMT2AMEN1L3MBTL1CNR1
SCHEMBL4463323 0.86 CNR1 (0.68) MAPTKMT2AMEN1L3MBTL1CNR1
SCHEMBL4467923 0.86 CNR1 (0.68) MAPTKMT2AMEN1L3MBTL1CNR1
SCHEMBL4468271 0.84 LMNA (0.64) MAPTKMT2AMEN1CNR1ALDH1A1
SCHEMBL4460213 0.82 CNR1 (0.65) MAPTKMT2AMEN1L3MBTL1CNR1
SCHEMBL4468884 0.81 CNR1 (0.77) CNR1PKMLMNATSHRSMN1; SMN2
SCHEMBL4462682 0.81 CNR1 (0.67) MAPTKMT2AMEN1L3MBTL1CNR1
SCHEMBL4460146 0.80 CNR1 (0.79) KMT2AMEN1L3MBTL1CNR1PKM

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 MAPT 4230/4885KMT2A 3200/4885MEN1 4029/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 MAPT 4527/4885KMT2A 3559/4885MEN1 2979/4885

“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.