SCHEMBL2990682

SCHEMBL2990682

O=C(O)c1cc2ccc([N+](=O)[O-])cc2oc1=O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.79
MAOA P21397 3/20 0.79
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
CTDSP1 Q9GZU7 1/20 0.61
CA12 O43570 2/20 0.60
CA9 Q16790 2/20 0.60
POLB P06746 1/20 0.60
GPR35 Q9HC97 2/20 0.56
CA1 P00915 1/20 0.56
CA3 P07451 1/20 0.56
TSHR P16473 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
CA5A P35218 1/20 0.56
CA7 P43166 1/20 0.56
CA14 Q9ULX7 1/20 0.56
CA5B Q9Y2D0 1/20 0.56
SLC16A3 O15427 4/20 0.56
F12 P00748 1/20 0.55

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
SCHEMBL6581074 1.00 MAOB (0.79) MAOBMAOAMEN1KMT2ACTDSP1
SCHEMBL5717527 0.88 MAOB (1.00) MAOBMAOAMEN1KMT2ACA12
SCHEMBL31672154 0.87 POLB (0.80) MAOBMAOAMEN1KMT2ACTDSP1
SCHEMBL26987736 0.87 CA12 (0.80) MAOBMAOAMEN1KMT2ACTDSP1
SCHEMBL2983118 0.83 KDM4E (0.60) MAOBMAOAMEN1KMT2ACTDSP1
SCHEMBL6578674 0.81 CYP2C19 (0.62) MAOBMAOAMEN1KMT2ACTDSP1
Propene SCHEMBL27951962 0.81 MAOB (0.85) MAOBMAOAMEN1KMT2ACA12
SCHEMBL7163440 0.80 MIF (0.67) MAOBMAOAKMT2ACA12CA9
SCHEMBL1091343 0.80 MAOA (0.51) MAOBMAOAMEN1KMT2ACTDSP1
SCHEMBL27085612 0.79 MIF (0.65) MAOBMAOAMEN1KMT2ACTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124986-B1 NITROCOUMARINS FOR DETECTING ALL MICRO-ORGANISMS BIOMERIEUX SA (FR) 2004-05-06 EP claimed
US-6555332-B2 Calibration using fluorescence signals BIOMERIEUX S.A. (FR) 2003-04-29 US claimed
US-20020031795-A1 Nitrocoumarins for detecting all micro-organisms BIOMERIEUX S.A. (FR) 2002-03-14 US claimed
EP-4204398-A2 CONJUGATES INCLUDING A DETECTABLE MOIETY Ventana Medical Systems, Inc. (US) 2023-07-05 EP disclosed
US-20230192658-A1 CONJUGATES INCLUDING A DETECTABLE MOIETY VENTANA MEDICAL SYSTEMS, INC. 2023-06-22 US disclosed
CN-115989221-A Conjugates comprising a detectable moiety 文塔纳医疗系统公司 2023-04-18 CN disclosed
WO-2022043491-A2 CONJUGATES INCLUDING A DETECTABLE MOIETY VENTANA MEDICAL SYSTEMS, INC. (US) 2022-03-03 WO disclosed
CN-104651476-B Novel nitroreductase substrates 生物梅里埃公司 2020-02-18 CN disclosed
US-20150211044-A1 QUICK METHOD FOR DETECTING ENYZMES AND MICROORGANISMS BIO-RAD EUROPE GMBH (CH) 2015-07-30 US disclosed
US-9012167-B2 Quick method for detecting enzymes and microorganisms BIO-RAD INNOVATIONS (FR) 2015-04-21 US disclosed
US-20130089883-A1 QUICK METHOD FOR DETECTING ENYZMES AND MICROORANISMS BIO-RAD INNOVATIONS (FR) 2013-04-11 US disclosed
US-8211662-B2 Nitroreductase enzymatic substrates BIOMERIEUX (FR) 2012-07-03 US disclosed
US-20100221764-A1 NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES BIOMERIEUX (FR) 2010-09-02 US disclosed
US-20100173332-A1 Method for the Fluorescent Detection of Nitroreductase Activity Using Nitro-Substituted Aromatic Compounds AUCKLAND UNISERVICES LIMITED 2010-07-08 US disclosed
WO-2008030120-A1 A METHOD FOR THE FLUORESCENT DETECTION OF NITROREDUCTASE ACTIVITY USING NITRO-SUBSTITUTED AROMATIC COMPOUNDS AUCKLAND UNISERVICES LIMITED (NZ) 2008-03-13 WO disclosed
EP-1124986-B1 NITROCOUMARINS FOR DETECTING ALL MICRO-ORGANISMS BIOMERIEUX SA (FR) 2004-05-06 EP disclosed
US-6555332-B2 Calibration using fluorescence signals BIOMERIEUX S.A. (FR) 2003-04-29 US disclosed
US-20020031795-A1 Nitrocoumarins for detecting all micro-organisms BIOMERIEUX S.A. (FR) 2002-03-14 US disclosed
EP-1124986-A1 NITROCOUMARINS FOR DETECTING ALL MICRO-ORGANISMS Biomerieux S.A. (FR) 2001-08-22 EP disclosed
WO-2000028073-A1 NITROCOUMARINS FOR DETECTING ALL MICRO-ORGANISMS BIOMERIEUX S.A. (FR) 2000-05-18 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 (4 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-20230192658-A1 CONJUGATES INCLUDING A DETECTABLE MOIETY CD2BP2, CD47, CD44 MAOB 1617/4885MAOA 1678/4885MEN1 647/4885
US-20100173332-A1 Method for the Fluorescent Detection of Nitroreductase Activity Using Nitro-Substituted Aromatic Compounds BLVRB, POR, CBR3 MAOB 26/4885MAOA 22/4885MEN1 4838/4885
US-20020031795-A1 Nitrocoumarins for detecting all micro-organisms CBR3, CYB5R3, CBR1 MAOB 130/4885MAOA 149/4885MEN1 1923/4885
US-20100221764-A1 NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES CBR1, CBR3, XDH MAOB 300/4885MAOA 328/4885MEN1 2511/4885

“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.