SCHEMBL2043906

SCHEMBL2043906

O=[N+]([O-])c1cccc([N+](=O)[O-])c1Nc1ccccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
GAA P10253 6/20 0.58
CXCR2 P25025 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.54
POLB P06746 2/20 0.54
GPR35 Q9HC97 2/20 0.53
MAPT P10636 4/20 0.53
MAPK1 P28482 4/20 0.53
TDP1 Q9NUW8 3/20 0.53
PKM P14618 1/20 0.53
KCNMA1 Q12791 2/20 0.53
LMNA P02545 2/20 0.51
ALDH1A1 P00352 2/20 0.50
CASP7 P55210 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 1/20 0.49
CXCR1 P25024 1/20 0.47

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
SCHEMBL13767355 0.87 GAA (0.50) MEN1KMT2AGAACXCR2L3MBTL1
SCHEMBL9120292 0.86 MEN1 (0.65) MEN1KMT2AGAACXCR2L3MBTL1
SCHEMBL11152164 0.85 MEN1 (0.61) MEN1KMT2AGAACXCR2L3MBTL1
SCHEMBL27908762 0.83 GPR35 (0.64) MEN1KMT2AGAACXCR2L3MBTL1
SCHEMBL7493510 0.83 MEN1 (0.50) MEN1KMT2AGAACXCR2L3MBTL1
SCHEMBL7071733 0.82 KCNMA1 (0.51) MEN1KMT2AGAACXCR2L3MBTL1
SCHEMBL28405679 0.81 GAA (0.56) MEN1KMT2AGAACXCR2L3MBTL1
SCHEMBL17996006 0.80 CXCR2 (0.49) MEN1KMT2AGAACXCR2L3MBTL1
SCHEMBL17996015 0.80 MEN1 (0.45) MEN1KMT2AGAACXCR2POLB
SCHEMBL18022835 0.79 MAPK1 (0.74) MEN1KMT2AGAACXCR2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877937-B2 Process for preparing transition metal-carbene complexes BASF SE (DE) 2014-11-04 US disclosed
US-8877937-B2 Process for preparing transition metal-carbene complexes BASF SE (DE) 2014-11-04 US disclosed
US-20130178621-A1 PROCESS FOR PREPARING TRANSITION METAL-CARBENE COMPLEXES BASF SE (DE) 2013-07-11 US disclosed
US-20130178621-A1 PROCESS FOR PREPARING TRANSITION METAL-CARBENE COMPLEXES BASF SE (DE) 2013-07-11 US disclosed
EP-2338593-B1 Process for the preparation of transition metal carbene complexes BASF SE (DE) 2013-06-19 EP disclosed
EP-2338593-B1 Process for the preparation of transition metal carbene complexes BASF SE (DE) 2013-06-19 EP disclosed
US-8410280-B2 Process for preparing transition metal-carbene complexes BASF SE (DE) 2013-04-02 US disclosed
US-8410280-B2 Process for preparing transition metal-carbene complexes BASF SE (DE) 2013-04-02 US disclosed
US-8410280-B2 Process for preparing transition metal-carbene complexes BASF SE (DE) 2013-04-02 US disclosed
CN-101065389-B Use of transition metal carbene complexes in organic light-emitting diodes (OLEDS) BASF AG 2012-05-09 CN disclosed
EP-2338593-A1 Process for the preparation of transition metal carbene complexes BASF SE (DE) 2011-06-29 EP disclosed
EP-1819717-B1 USE OF TRANSITION METAL CARBENE COMPLEXES IN ORGANIC LIGHT-EMITTING DIODES (OLEDS) BASF SE (DE) 2009-07-08 EP disclosed
US-20090018330-A1 PROCESS FOR PREPARING TRANSITION METAL-CARBENE COMPLEXES BASF SE (DE) 2009-01-15 US disclosed
US-20090018330-A1 PROCESS FOR PREPARING TRANSITION METAL-CARBENE COMPLEXES BASF SE (DE) 2009-01-15 US disclosed
US-20090018330-A1 PROCESS FOR PREPARING TRANSITION METAL-CARBENE COMPLEXES BASF SE (DE) 2009-01-15 US disclosed
EP-1993728-A1 PROCESS FOR PREPARING TRANSITION METAL-CARBENE COMPLEXES BASF SE (DE) 2008-11-26 EP disclosed
EP-1819717-A2 USE OF TRANSITION METAL CARBENE COMPLEXES IN ORGANIC LIGHT-EMITTING DIODES (OLEDS) BASF AKTIENGESELLSCHAFT (DE) 2007-08-22 EP disclosed
WO-2007088093-A1 PROCESS FOR PREPARING TRANSITION METAL-CARBENE COMPLEXES BASF SE (DE) 2007-08-09 WO disclosed
WO-2007088093-A1 PROCESS FOR PREPARING TRANSITION METAL-CARBENE COMPLEXES BASF SE (DE) 2007-08-09 WO disclosed
WO-2006056418-A2 USE OF TRANSITION METAL CARBENE COMPLEXES IN ORGANIC LIGHT-EMITTING DIODES (OLEDS) BASF AKTIENGESELLSCHAFT (DE) 2006-06-01 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 (2 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-20090018330-A1 PROCESS FOR PREPARING TRANSITION METAL-CARBENE COMPLEXES AP1M1, C1S, GPS1 MEN1 51/4885KMT2A 2456/4885GAA 1372/4885
US-20130178621-A1 PROCESS FOR PREPARING TRANSITION METAL-CARBENE COMPLEXES AP1M1, C1S, GPS1 MEN1 51/4885KMT2A 2456/4885GAA 1372/4885

“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.