SCHEMBL5113791

SCHEMBL5113791

O=[N+]([O-])c1ccccc1Nc1cccc2cccnc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.67
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
NFKBIA P25963 4/20 0.64
RELA Q04206 4/20 0.64
SLC40A1 Q9NP59 4/20 0.64
TDP1 Q9NUW8 3/20 0.64
OPRK1 P41145 2/20 0.64
MDM4 O15151 1/20 0.64
MDM2 Q00987 1/20 0.64
RAB9A P51151 4/20 0.54
NPC1 O15118 2/20 0.54
L3MBTL1 Q9Y468 5/20 0.54
MAPT P10636 4/20 0.54
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
KDR P35968 2/20 0.52
AGTR1 P30556 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL9850357 0.81 PDE10A (0.57) PDE10AMEN1KMT2ANFKBIARELA
SCHEMBL28105304 0.81 SLC40A1 (0.66) PDE10AMEN1KMT2ANFKBIARELA
SCHEMBL28105311 0.81 SLC40A1 (0.69) PDE10AMEN1KMT2ANFKBIARELA
SCHEMBL949962 0.81 PDE10A (1.00) PDE10AMEN1KMT2ANFKBIARELA
SCHEMBL13337941 0.81 MEN1 (0.56) MEN1KMT2ANFKBIASLC40A1TDP1
SCHEMBL379216 0.80 GLO1 (0.59) MEN1KMT2ANFKBIASLC40A1TDP1
Hydrochloric Acid SCHEMBL7965424 0.79 PDE10A (0.96) PDE10AMEN1KMT2ANFKBIARELA
SCHEMBL30615490 0.79 L3MBTL1 (0.54) PDE10AMEN1KMT2ANFKBIARELA
SCHEMBL21467314 0.79 L3MBTL1 (0.54) PDE10AMEN1KMT2ANFKBIARELA
SCHEMBL30731266 0.79 ALDH1A1 (0.54) PDE10AMEN1KMT2ANFKBIARELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407969-B2 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-08-05 US disclosed
EP-1400519-B1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA NV (BE) 2007-03-07 EP disclosed
US-7071192-B1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2006-07-04 US disclosed
US-20060058309-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-16 US disclosed
EP-1400519-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-24 EP disclosed
EP-1196410-B1 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2004-02-18 EP disclosed
CN-1358182-A Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA NV (BE) 2002-07-10 CN disclosed
EP-1196410-A1 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2002-04-17 EP disclosed
WO-2001000615-A1 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-04 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-20060058309-A1 Respiratory syncytial virus replication inhibitors NR4A1, NR4A3, NR4A2 PDE10A 4682/4885MEN1 3124/4885KMT2A 1494/4885

“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.