SCHEMBL4464890

SCHEMBL4464890

O=S(=O)(c1ccc2c(c1)OC(c1ccc(F)cc1)(c1ccc(Cl)cc1)O2)N1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.69
ALDH1A1 P00352 4/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 3/20 0.49
HTT P42858 3/20 0.49
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CREBBP Q92793 1/20 0.49
PKM P14618 2/20 0.49
PKLR P30613 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
MITF O75030 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 2/20 0.45
NPBWR1 P48145 1/20 0.44
MCHR1 Q99705 1/20 0.44
CYP3A4 P08684 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL4467464 0.94 CNR1 (0.77) CNR1ALDH1A1LMNAMAPTHTT
SCHEMBL4460616 0.94 CNR1 (0.77) CNR1ALDH1A1LMNAMAPTHTT
SCHEMBL1317004 0.91 CNR1 (0.64) CNR1ALDH1A1LMNAMAPTHTT
SCHEMBL4476817 0.91 CNR1 (0.69) CNR1ALDH1A1LMNAMAPTHTT
SCHEMBL4466755 0.90 CNR1 (0.86) CNR1ALDH1A1LMNAMAPTPKM
SCHEMBL4460090 0.89 CNR1 (0.69) CNR1ALDH1A1LMNAMAPTHTT
SCHEMBL4461879 0.87 CNR1 (0.67) CNR1ALDH1A1LMNAMAPTHTT
SCHEMBL4459683 0.86 CNR1 (0.65) CNR1ALDH1A1LMNAMAPTHTT
SCHEMBL4468782 0.85 CNR1 (0.70) CNR1ALDH1A1LMNAMAPTHTT
SCHEMBL4459981 0.82 CNR1 (1.00) CNR1ALDH1A1LMNAGAASMN1; SMN2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP claimed
US-20050143373-A1 Benzodioxole derivatives ALANINE ALEXANDER (FR) 2005-06-30 US claimed
US-6900227-B2 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-31 US 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 2/4885ALDH1A1 607/4885LMNA 3995/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 CNR1 1/4885ALDH1A1 299/4885LMNA 4186/4885

“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.