SCHEMBL4369825

SCHEMBL4369825

Cc1ccc(S(=O)(=O)OC[C@H]2COc3ccc([N+](=O)[O-])c(CC=O)c3O2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
MAPT P10636 8/20 0.35
LMNA P02545 6/20 0.35
PKM P14618 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 7/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 1/20 0.32
KMT2A Q03164 3/20 0.32
CA2 P00918 1/20 0.32
MEN1 O00255 2/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL4363287 1.00 PRMT5 (0.36) PRMT5WDR77MAPTLMNAPKM
SCHEMBL4357751 0.92 PRMT5 (0.36) PRMT5WDR77MAPTLMNAPKM
SCHEMBL4375214 0.92 PRMT5 (0.36) PRMT5WDR77MAPTLMNAPKM
SCHEMBL4358721 0.88 PRMT5 (0.39) PRMT5WDR77MAPTLMNAPKM
SCHEMBL4363858 0.88 PRMT5 (0.39) PRMT5WDR77MAPTLMNAPKM
SCHEMBL6367075 0.88 PRMT5 (0.37) PRMT5WDR77MAPTLMNAPKM
SCHEMBL7396212 0.87 MAPT (0.37) PRMT5WDR77MAPTLMNAPKM
SCHEMBL5957059 0.87 MAPT (0.37) PRMT5WDR77MAPTLMNAPKM
SCHEMBL8223158 0.86 PRMT5 (0.36) PRMT5WDR77MAPTLMNAPKM
SCHEMBL13481958 0.86 PRMT5 (0.36) PRMT5WDR77MAPTLMNAPKM

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans WYETH (US) 2009-02-12 US disclosed
US-7479500-B2 Antidepressant piperidine derivatives of heterocyclefused benzodioxans WYETH (US) 2009-01-20 US disclosed
US-7419986-B2 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2008-09-02 US disclosed
US-7335666-B2 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2008-02-26 US disclosed
US-20070004702-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2007-01-04 US disclosed
US-20060293301-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2006-12-28 US disclosed
US-7135479-B2 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2006-11-14 US disclosed
US-20050228009-A1 Antidepressant piperidine derivatives of heterocyclefused benzodioxans WYETH (US) 2005-10-13 US disclosed
US-6939877-B2 Antidepressant piperidine derivatives of heterocycle-fused benzodioxans WYETH (US) 2005-09-06 US disclosed
EP-1537120-A1 ANTIDEPRESSANT PIPERIDINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS Wyeth, A Corporation of the State of Delaware (US) 2005-06-08 EP disclosed
US-20040147523-A1 Antidepressant piperidine derivatives of heterocycle-fused benzodioxans WYETH 2004-07-29 US disclosed
US-20040132714-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH 2004-07-08 US disclosed
WO-2004024733-A1 ANTIDEPRESSANT PIPERIDINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2004-03-25 WO disclosed
WO-2004024730-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2004-03-25 WO disclosed
EP-1381615-A2 ANTIDEPRESSANT INDOLETETRAHYDROPYRIDINE DERIVATIVES OF 2,3-DIHYDRO-7H- 1,4]DIOXINO 2,3-e]INDOLE Wyeth (US) 2004-01-21 EP disclosed
US-6627639-B2 Uses for indoletetrahydropyridine derivatives of 2,3-dihydro-7H-[1,4]dioxino-[2,3-e]indole WYETH 2003-09-30 US disclosed
US-20030134870-A1 ANTIDEPRESSANT INDOLETETRAHYDROPYRIDINE DERIVATIVES OF 2,3-DIHYDRO-7H-[1,4]DIOXINO-[2,3-E]INDOLE WYETH 2003-07-17 US disclosed
US-6593350-B2 For therapy of depression, obsessive compulsive disorder, panic attacks, generalized anxiety disorder, social anxiety disorder, sexual dysfunction, eating disorders, obesity, addictive disorders caused by ethanol or cocaine abuse WYETH 2003-07-15 US disclosed
US-20020183352-A1 Antidepressant indoletetrahydropyridine derivatives of 2,3-dihydro-7H-[1,4]dioxino[2,3-e]indole WYETH (US) 2002-12-05 US disclosed
WO-2002088146-A2 ANTIDEPRESSANT INDOLETETRAHYDROPYRIDINE DERIVATIVES OF 2,3-DIHYDRO-7H-[1,4]DIOXINO[2,3-e]INDOLE WYETH (US) 2002-11-07 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 (8 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-20060293301-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CRH, HTR5A, DBH PRMT5 1304/4885WDR77 653/4885MAPT 2773/4885
US-20030134870-A1 ANTIDEPRESSANT INDOLETETRAHYDROPYRIDINE DERIVATIVES OF 2,3-DIHYDRO-7H-[1,4]DIOXINO-[2,3-E]INDOLE TPH1, OPRD1, HTR1D PRMT5 3836/4885WDR77 1833/4885MAPT 1653/4885
US-20020183352-A1 Antidepressant indoletetrahydropyridine derivatives of 2,3-dihydro-7H-[1,4]dioxino[2,3-e]indole TPH1, OPRD1, HTR1D PRMT5 3920/4885WDR77 2247/4885MAPT 1714/4885
US-20050228009-A1 Antidepressant piperidine derivatives of heterocyclefused benzodioxans HTR5A, OPRD1, DRD2 PRMT5 1270/4885WDR77 592/4885MAPT 2558/4885
US-20070004702-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CRH, CYP19A1, HTR5A PRMT5 1037/4885WDR77 620/4885MAPT 3070/4885
US-20040132714-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CYP19A1, CRH, CYP17A1 PRMT5 1258/4885WDR77 575/4885MAPT 3336/4885
US-20040147523-A1 Antidepressant piperidine derivatives of heterocycle-fused benzodioxans HTR5A, OPRD1, CRH PRMT5 1800/4885WDR77 483/4885MAPT 1997/4885
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans HTR5A, OPRD1, CRH PRMT5 1361/4885WDR77 465/4885MAPT 2292/4885

“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.