SCHEMBL714996

SCHEMBL714996

[c]1ccccc1-c1nc2ccccc2nc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.52
L3MBTL1 Q9Y468 6/20 0.52
LMNA P02545 4/20 0.52
TDP1 Q9NUW8 3/20 0.52
GAA P10253 3/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
PKM P14618 1/20 0.48
ALDH1A1 P00352 5/20 0.47
NPSR1 Q6W5P4 1/20 0.47
AKT1 P31749 1/20 0.45
AKT2 P31751 1/20 0.45
ATM Q13315 1/20 0.44
TLR9 Q9NR96 1/20 0.44
THRB P10828 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE10A Q9Y233 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
SCHEMBL712288 0.90 L3MBTL1 (0.41) KDM4EL3MBTL1LMNATDP1GAA
SCHEMBL732131 0.79 KDM4E (0.74) KDM4EL3MBTL1LMNATDP1GAA
SCHEMBL29382173 0.79 KDM4E (0.74) KDM4EL3MBTL1LMNATDP1GAA
SCHEMBL712286 0.78 GPR3 (0.42) KDM4EL3MBTL1LMNATDP1GAA
SCHEMBL715300 0.78 ALDH1A1 (0.40) KDM4EL3MBTL1TDP1GAAKMT2A
SCHEMBL13950894 0.77 KDM4E (0.78) KDM4EL3MBTL1LMNATDP1GAA
SCHEMBL28710728 0.77 KDM4E (0.71) KDM4EL3MBTL1LMNATDP1GAA
Water SCHEMBL27680271 0.77 KDM4E (0.71) KDM4EL3MBTL1LMNATDP1GAA
SCHEMBL865711 0.77 KDM4E (0.71) KDM4EL3MBTL1LMNATDP1GAA
SCHEMBL714997 0.76 KDM4E (0.59) KDM4EL3MBTL1LMNATDP1GAA

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 KDM4E 2863/4885L3MBTL1 988/4885LMNA 1954/4885

“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.