SCHEMBL2535418

SCHEMBL2535418

COc1ccc2oc(=O)c(-c3ccc([N+](=O)[O-])cc3)cc2c1

nearest known ligand 0.86

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.86
MAOB P27338 9/20 0.71
MAOA P21397 1/20 0.71
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
ACHE P22303 3/20 0.60
ADORA3 P0DMS8 1/20 0.59
ADORA2A P29274 1/20 0.59
STS P08842 1/20 0.58
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
GAPDH P04406 1/20 0.55
THRB P10828 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL27085594 0.93 XDH (1.00) XDHMAOBMAOACA1CA2
SCHEMBL14879967 0.90 XDH (0.74) XDHMAOBMAOACA1CA2
SCHEMBL7124497 0.87 MAOB (0.86) XDHMAOBCA1CA2ACHE
SCHEMBL3281919 0.85 MAOB (0.80) XDHMAOBMAOACA1CA2
SCHEMBL27085607 0.85 XDH (0.82) XDHMAOBMAOACA1CA2
SCHEMBL729733 0.83 MAOB (0.71) XDHMAOBKDM4EALDH1A1LMNA
SCHEMBL7117976 0.82 MAOB (0.78) XDHMAOBCA1CA2ACHE
SCHEMBL22132856 0.82 MAOB (0.78) XDHMAOBCA1CA2ACHE
SCHEMBL7122385 0.82 MAOB (0.85) XDHMAOBCA1CA2ACHE
SCHEMBL7123257 0.81 NPC1 (0.79) MAOBCA1CA2ACHEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007087424-A2 METHOD OF TREATING KCNQ RELATED DISORDERS USING ORGANOZINC COMPOUNDS THE JOHNS HOPKINS UNIVERSITY (US) 2007-08-02 WO claimed
JP-2003504327-A 2003-02-04 JP claimed
EP-1223928-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS Prendergast, Patrick Thomas (IE) 2002-07-24 EP claimed
WO-2001003681-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS PRENDERGAST PATRICK T (IE) 2001-01-18 WO claimed
US-20110257146-A1 Method of Treating Kcnq Related Disorders Using Organozinc Compounds THE JOHNS HOPKINS UNIVERSITY (US) 2011-10-20 US disclosed
US-20110257146-A1 Method of Treating Kcnq Related Disorders Using Organozinc Compounds THE JOHNS HOPKINS UNIVERSITY (US) 2011-10-20 US disclosed
US-20110257146-A1 Method of Treating Kcnq Related Disorders Using Organozinc Compounds THE JOHNS HOPKINS UNIVERSITY (US) 2011-10-20 US disclosed
WO-2007087424-A2 METHOD OF TREATING KCNQ RELATED DISORDERS USING ORGANOZINC COMPOUNDS THE JOHNS HOPKINS UNIVERSITY (US) 2007-08-02 WO disclosed
US-6555523-B1 Such as 3',4'-diacetoxy-5,6,7-trimethoxyflavone or naringin in the treatment HIV, picornavirus, and/or respiratory virus CASCADE ESTATES LTD. (MU) 2003-04-29 US disclosed
EP-1223928-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS Prendergast, Patrick Thomas (IE) 2002-07-24 EP disclosed
WO-2001003681-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS PRENDERGAST PATRICK T (IE) 2001-01-18 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 (1 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-20110257146-A1 Method of Treating Kcnq Related Disorders Using Organozinc Compounds KCNQ3, KCNQ1, KCNQ5 XDH 641/4885MAOB 2151/4885MAOA 2553/4885

“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.