SCHEMBL712953

SCHEMBL712953

[c]1ccccc1N1c2ccccc2Sc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
HDAC6 Q9UBN7 1/20 0.42
BCHE P06276 7/20 0.42
ACHE P22303 3/20 0.40
NOX1 Q9Y5S8 2/20 0.40
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
KDM1A O60341 1/20 0.37
PIM1 P11309 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CHRM3 P20309 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL11674778 0.83 TLR9 (0.39)
SCHEMBL29851224 0.76 HDAC6 (0.62) MAOAHDAC6BCHEACHENOX1
SCHEMBL12190901 0.76 HDAC6 (0.62) MAOAHDAC6BCHEACHENOX1
SCHEMBL714491 0.75 ALDH1A1 (0.38) BCHEMEN1KMT2AADRA2AADRA2B
SCHEMBL29387100 0.74 HDAC6 (0.56) MAOAHDAC6BCHEACHENOX1
SCHEMBL12190857 0.74 MAOA (0.54) MAOAHDAC6BCHEACHENOX1
SCHEMBL342426 0.74 HDAC6 (0.56) MAOAHDAC6BCHEACHENOX1
SCHEMBL712954 0.73 HDAC6 (0.51) MAOAHDAC6BCHEACHENOX1
SCHEMBL7214767 0.73 HDAC6 (0.44) MAOAHDAC6BCHEACHENOX1
SCHEMBL715854 0.72 P2RX4 (0.40) MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8771843-B2 Fluorene derivative, organic compound, and light-emitting element, light-emitting device, and electronic device using the compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-07-08 US disclosed
US-20120049768-A1 Fluorene Derivative, Organic Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-03-01 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-20120049768-A1 Fluorene Derivative, Organic Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Compound AFF2, MAPRE2, AFF4 MAOA 503/4885HDAC6 1312/4885BCHE 2128/4885

“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.