SCHEMBL4185536

SCHEMBL4185536

O=C(/C=C/c1ccccc1[N+](=O)[O-])/C=C/c1ccccc1[N+](=O)[O-]

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.77
MAOB P27338 1/20 0.71
KMT2A Q03164 4/20 0.67
MEN1 O00255 3/20 0.67
ALDH1A1 P00352 6/20 0.66
RAB9A P51151 3/20 0.65
NPC1 O15118 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
KDM4E B2RXH2 1/20 0.65
NFKB1 P19838 1/20 0.65
NFKB2 Q00653 1/20 0.65
RELA Q04206 1/20 0.65
LMNA P02545 3/20 0.63
ATM Q13315 2/20 0.63
HSP90AA1 P07900 1/20 0.63
BACE1 P56817 1/20 0.61
AR P10275 1/20 0.58
POLB P06746 1/20 0.57
PTGS2 P35354 1/20 0.56

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
SCHEMBL4185541 1.00 MAPT (0.77) MAPTMAOBKMT2AMEN1ALDH1A1
SCHEMBL42323 0.87 MAPT (1.00) MAPTMAOBKMT2AMEN1ALDH1A1
SCHEMBL10673342 0.87 MAPT (1.00) MAPTMAOBKMT2AMEN1ALDH1A1
SCHEMBL3295983 0.87 MAPT (1.00) MAPTMAOBKMT2AMEN1ALDH1A1
SCHEMBL820084 0.87 MAPT (1.00) MAPTMAOBKMT2AMEN1ALDH1A1
SCHEMBL1404904 0.86 MAPT (0.73) MAPTMAOBKMT2AMEN1ALDH1A1
SCHEMBL10612875 0.86 MAPT (0.73) MAPTMAOBKMT2AMEN1ALDH1A1
SCHEMBL114330 0.86 MAPT (0.73) MAPTMAOBKMT2AMEN1ALDH1A1
SCHEMBL1404905 0.86 MAPT (0.73) MAPTMAOBKMT2AMEN1ALDH1A1
SCHEMBL2488973 0.86 MAPT (0.73) MAPTMAOBKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2009-02-12 US disclosed
WO-2008150848-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2008-12-11 WO disclosed
US-7153849-B2 Antidepressant arylpiperazine derivatives of hetrocycle-fused benzodioxans WYETH (US) 2006-12-26 US disclosed
US-20060276481-A1 Antidepressant arylpiperazine derivatives of heterocycle-fused benzodioxans WYETH (US) 2006-12-07 US disclosed
US-20060264437-A1 Azabicyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino [2,3-F]quinoline as 5-HT1A antagonists WYETH 2006-11-23 US disclosed
EP-1546151-B1 ANTIDEPRESSANT CYCLOALKYLAMINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH CORP (US) 2006-04-12 EP disclosed
EP-1546151-A1 ANTIDEPRESSANT CYCLOALKYLAMINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS Wyeth (US) 2005-06-29 EP disclosed
US-6911445-B2 For reatment of depression, childhood depression, dysthymia, anxiety, panic disorder, post-traumatic stress disorder, premenstrual dysphoric disorder, attention deficit disorder, obsessive-compulsive disorder, cocaine and alcohol addiction WYETH (US) 2005-06-28 US disclosed
EP-1537121-A1 ANTIDEPRESSANT ARYLPIPERAZINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS Wyeth (US) 2005-06-08 EP disclosed
US-6861427-B2 Azabicyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]quinoline as 5-HT1A antagonists WYETH (US) 2005-03-01 US disclosed
EP-1392697-A1 ANTIDEPRESSANT AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO 2,3-F]QUINOLINE Wyeth (US) 2004-03-03 EP disclosed
US-6599915-B2 5HT1A antagonist limit the negative feedback of autoceptors seen with serotonic reuptake inhibitors WYETH 2003-07-29 US disclosed
US-20030045542-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]quinoline WYETH 2003-03-06 US disclosed
US-20020193366-A1 Azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]-quinoline as 5-HT1A antagonists WYETH 2002-12-19 US disclosed
US-20020183322-A1 Azabicyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]quinoline as 5-HT1A antagonists WYETH 2002-12-05 US disclosed
WO-2002088130-A1 AZABICYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO-[2,3-F]QUINOLINE AS 5-HT1A ANTAGONISTS WYETH (US) 2002-11-07 WO disclosed
WO-2002088132-A1 AZAHETEROCYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINOLINE AS 5-HT1AANTAGONISTS WYETH (US) 2002-11-07 WO disclosed
US-20020165245-A1 ANTIDEPRESSANT AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINOLINE WYETH 2002-11-07 US disclosed
US-6458802-B1 ANTIDEPRESSANTS, OBSESSIVE COMPULSIVE DISORDER, DIETETICS WYETH 2002-10-01 US disclosed
WO-2002072587-A1 ANTIDEPRESSANT AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINOLINE WYETH (US) 2002-09-19 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 (7 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-20030045542-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]quinoline CYP19A1, DDT, DRD2 MAPT 3722/4885MAOB 44/4885KMT2A 1341/4885
US-20020183322-A1 Azabicyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]quinoline as 5-HT1A antagonists HTR1B, HTR1A, HTR2C MAPT 1102/4885MAOB 36/4885KMT2A 489/4885
US-20060276481-A1 Antidepressant arylpiperazine derivatives of heterocycle-fused benzodioxans HTR5A, CRH, TAAR5 MAPT 2722/4885MAOB 110/4885KMT2A 4549/4885
US-20060264437-A1 Azabicyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino [2,3-F]quinoline as 5-HT1A antagonists HTR2C, HTR5A, HTR1B MAPT 928/4885MAOB 28/4885KMT2A 509/4885
US-20020165245-A1 ANTIDEPRESSANT AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINOLINE CYP19A1, DBH, DDT MAPT 3364/4885MAOB 49/4885KMT2A 1785/4885
US-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS HTR5A, CRH, CYP17A1 MAPT 2254/4885MAOB 89/4885KMT2A 4266/4885
US-20020193366-A1 Azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]-quinoline as 5-HT1A antagonists HTR2C, HTR1A, HTR3B MAPT 4148/4885MAOB 121/4885KMT2A 376/4885

“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.