SCHEMBL4361353

SCHEMBL4361353

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
FBP1 P09467 2/20 0.59
RXRA P19793 1/20 0.58
SOS1 Q07889 1/20 0.57
MAOB P27338 1/20 0.56
TLR4 O00206 1/20 0.53
TLR2 O60603 1/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP19A1 P11511 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
ATM Q13315 2/20 0.50

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
SCHEMBL4307048 1.00 MAPT (0.61) MAPTFBP1RXRASOS1MAOB
SCHEMBL14935499 0.87 MAPT (0.69) MAPTSOS1MAOBMEN1KMT2A
SCHEMBL9978289 0.87 MAPT (0.69) MAPTSOS1MAOBMEN1KMT2A
SCHEMBL11049170 0.87 MAPT (0.69) MAPTSOS1MAOBMEN1KMT2A
SCHEMBL11299049 0.85 MAPT (0.67) MAPTSOS1MAOBMEN1KMT2A
SCHEMBL11296000 0.85 MAPT (0.67) MAPTSOS1MAOBMEN1KMT2A
SCHEMBL5440784 0.83 SOS1 (0.71) MAPTSOS1MAOBMEN1KMT2A
SCHEMBL5440780 0.83 SOS1 (0.71) MAPTSOS1MAOBMEN1KMT2A
SCHEMBL24492388 0.82 FBP1 (0.51) MAPTFBP1RXRATLR4TLR2
SCHEMBL28704930 0.82 FBP1 (0.51) MAPTFBP1RXRATLR4TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106117113-A Polysubstituted carbazole, derivant and synthetic method thereof 湘潭大学 2016-11-16 CN claimed
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-7381723-B2 Azabicyclylmethyl derivatives of 7,8-dihydro-1,6,9,-trioxa-3-aza-cyclopenta[a]naphthalene as 5-HT1A antagonists WYETH (US) 2008-06-03 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-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-20020183336-A1 Azabicyclylmethyl derivatives of 7,8-dihydro-1,6,9-trioxa-3-aza-cyclopenta[a]naphthalene as 5-ht1a antagonists AMERICAN HOME PRODUCTS CORPORATION 2002-12-05 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-2002088145-A1 AZABICYCLYLMETHYL DERIVATIVES OF 7,8-DIHYDRO-1,6,9-TRIOXA-3-AZACYCLOPENTA[a]NAPHTHALENE AS 5-HT1A ANTAGONISTS WYETH (US) 2002-11-07 WO 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
EP-0598383-B1 Process for the preparation of 5,6-diacetoxyindole BRISTOL MYERS SQUIBB CO (US) 1999-02-03 EP disclosed
US-5536865-A Process for the preparation of 5,6-dihydroxyindole and intermediate compounds L'OREAL (FR) 1996-07-16 US disclosed
US-5508464-A NITRATING OF A 4,5-DIBENZYLOXYPHENYLACETONITRILE, FOLLOWED BY DEBENZYLATION, HYDROGENATION AND CYCLIZATION L'OREAL (FR) 1996-04-16 US disclosed
US-5498746-A Process for the preparation of 5,6-dihydroxyindole and intermediate compounds L'OREAL (FR) 1996-03-12 US disclosed
US-5410067-A Catalytic hydrogenation; cyclization L'OREAL (FR) 1995-04-25 US disclosed
US-4822375-A LIGHTFAST, WEATHER RESISTANT, NATURAL APPEARING HAIR DYES L'OREAL (FR) 1989-04-18 US 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 (6 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 MAPT 2773/4885FBP1 3278/4885RXRA 2834/4885
US-20060276481-A1 Antidepressant arylpiperazine derivatives of heterocycle-fused benzodioxans HTR5A, CRH, TAAR5 MAPT 2722/4885FBP1 3108/4885RXRA 3592/4885
US-20020183352-A1 Antidepressant indoletetrahydropyridine derivatives of 2,3-dihydro-7H-[1,4]dioxino[2,3-e]indole TPH1, OPRD1, HTR1D MAPT 1714/4885FBP1 1305/4885RXRA 3237/4885
US-20020183336-A1 Azabicyclylmethyl derivatives of 7,8-dihydro-1,6,9-trioxa-3-aza-cyclopenta[a]naphthalene as 5-ht1a antagonists HTR1A, HTR5A, HTR1D MAPT 775/4885FBP1 3938/4885RXRA 2443/4885
US-20070004702-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CRH, CYP19A1, HTR5A MAPT 3070/4885FBP1 3647/4885RXRA 3125/4885
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans HTR5A, OPRD1, CRH MAPT 2292/4885FBP1 2949/4885RXRA 4097/4885

“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.