SCHEMBL1645512

SCHEMBL1645512

O=[N+]([O-])c1cccc2ccc(-c3ccc4ccccc4c3)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.50
MEN1 O00255 8/20 0.45
KMT2A Q03164 8/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 2/20 0.45
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAOA P21397 1/20 0.43
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
POLB P06746 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL1031073 0.86 MEN1 (0.55) PDE10AMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL1031979 0.81 PDE10A (0.55) PDE10AMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL1035540 0.80 MEN1 (0.54) PDE10AMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL1033478 0.79 PDE10A (0.58) PDE10AMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL1033797 0.79 XDH (0.46) PDE10AMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL1031324 0.79 MEN1 (0.46) PDE10AMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL16542814 0.79 CYP1A2 (0.55) SMN1; SMN2HPGDMAPTALDH1A1NPC1
SCHEMBL30414157 0.79 CYP1A2 (0.55) SMN1; SMN2HPGDMAPTALDH1A1NPC1
SCHEMBL1034974 0.78 MEN1 (0.49) PDE10AMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL10032275 0.77 CYP1A1 (0.51) MEN1KMT2ASMN1; SMN2HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8597798-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2013-12-03 US disclosed
EP-2344608-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2011-07-20 EP disclosed
US-20110095281-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-04-28 US disclosed
WO-2010054731-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-05-20 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-20110095281-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SOD1, EPCAM, ICMT PDE10A 3957/4885MEN1 1163/4885KMT2A 3091/4885

“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.