SCHEMBL714491

SCHEMBL714491

[c]1ccccc1N1c2ccccc2N(c2ccccc2)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CES2 O00748 1/20 0.38
BCHE P06276 1/20 0.38
CES1 P23141 1/20 0.38
HPGD P15428 1/20 0.37
MGLL Q99685 1/20 0.37
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
TLR9 Q9NR96 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ELANE P08246 1/20 0.31

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 0.91 TLR9 (0.39) TLR9
SCHEMBL22068219 0.81 ALDH1A1 (0.50) ALDH1A1GAANPSR1CES2BCHE
SCHEMBL30060869 0.81 ALDH1A1 (0.50) ALDH1A1GAANPSR1CES2BCHE
SCHEMBL1573901 0.81 ALDH1A1 (0.50) ALDH1A1GAANPSR1CES2BCHE
SCHEMBL712953 0.75 MAOA (0.47) ALDH1A1BCHEADRA2AADRA2BADRA2C
SCHEMBL715854 0.75 P2RX4 (0.40) NPSR1
SCHEMBL714492 0.75 ALDH1A1 (0.42) ALDH1A1GAANPSR1CES2BCHE
SCHEMBL17951555 0.72 MGLL (0.46) ALDH1A1GAANPSR1CES2BCHE
SCHEMBL17383504 0.71 ALDH1A1 (0.46) ALDH1A1GAANPSR1CES2BCHE
SCHEMBL12251824 0.70 MAOA (0.44) ALDH1A1GAANPSR1CES2BCHE

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 ALDH1A1 1391/4885GAA 3375/4885NPSR1 4094/4885

“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.