SCHEMBL19660985

SCHEMBL19660985

CN1c2ccccc2C2(c3ccccc3Sc3ccccc32)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.61
NOX1 Q9Y5S8 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ADRA2A P08913 2/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
CHRM3 P20309 2/20 0.46
SLC6A2 P23975 2/20 0.46
HTR2C P28335 2/20 0.46
SLC6A4 P31645 2/20 0.46
DRD3 P35462 2/20 0.46
HTR2B P41595 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 4/20 0.41
MAPT P10636 4/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM1A O60341 3/20 0.40
TP53 P04637 2/20 0.38

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
SCHEMBL20539744 0.81 NOX1 (0.48) MAOANOX1L3MBTL1SLC6A2HTR2C
SCHEMBL21187241 0.81 MAOA (0.41) MAOANOX1L3MBTL1ADRA2AADRA2B
SCHEMBL19660996 0.80 MAOA (0.41) MAOANOX1ADRA2AADRA2BADRA2C
SCHEMBL19654649 0.80 MAOA (0.41) MAOANOX1L3MBTL1ADRA2AADRA2B
SCHEMBL30972504 0.78 HDAC6 (0.40) MAOANOX1ADRA2AADRA2BADRA2C
SCHEMBL15030784 0.78 HDAC6 (0.40) MAOANOX1ADRA2AADRA2BADRA2C
SCHEMBL23056710 0.78 HTT (0.49) MAOAMEN1KMT2ALMNAMAPT
SCHEMBL11990876 0.78 MAPT (0.41) MAOAMEN1KMT2ALMNAMAPT
SCHEMBL29377505 0.77 MAOA (1.00) MAOANOX1L3MBTL1ADRA2AADRA2B
SCHEMBL231247 0.77 MAOA (1.00) MAOANOX1L3MBTL1ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170346017-A1 NITROGEN-CONTAINING COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-11-30 US 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-20170346017-A1 NITROGEN-CONTAINING COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME NOM1, NOS1, NPM1 MAOA 1068/4885NOX1 29/4885L3MBTL1 2255/4885

“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.