SCHEMBL715244

SCHEMBL715244

[c]1ccccc1-c1cc2ccccc2n1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
TSHR P16473 1/20 0.45
HAO1 Q9UJM8 1/20 0.39
APP P05067 1/20 0.38
KMT2A Q03164 2/20 0.38
CYP19A1 P11511 1/20 0.37
KDM4E B2RXH2 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
PLA2G10 O15496 2/20 0.35
GSK3A P49840 2/20 0.34
GSK3B P49841 2/20 0.34
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
PARP1 P09874 2/20 0.33
NOTUM Q6P988 1/20 0.33
HPGD P15428 3/20 0.32
GAA P10253 2/20 0.32
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 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
SCHEMBL11758704 0.77 KMT2A (0.56) ALDH1A1APPKMT2AKDM4EL3MBTL1
SCHEMBL22171609 0.75 ALDH1A1 (0.53) ALDH1A1TSHRHAO1APPKMT2A
SCHEMBL1878805 0.75 HAO1 (0.58) ALDH1A1TSHRHAO1APPKMT2A
SCHEMBL715245 0.75 HAO1 (0.49) ALDH1A1TSHRHAO1APPKMT2A
SCHEMBL12854014 0.74 ALDH1A1 (0.51) ALDH1A1TSHRHAO1APPKMT2A
SCHEMBL11947419 0.74 ALDH1A1 (0.51) ALDH1A1TSHRHAO1APPKMT2A
SCHEMBL713626 0.72 HAO1 (0.52) ALDH1A1TSHRHAO1APPKMT2A
SCHEMBL13425022 0.72 HAO1 (0.62) ALDH1A1TSHRHAO1APPKMT2A
SCHEMBL715182 0.71 ALDH1A1 (0.39) ALDH1A1TSHRKMT2AKDM4EGSK3A
SCHEMBL713625 0.71 KMT2A (0.49) ALDH1A1TSHRHAO1APPKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382206-B2 Nitrogen-containing aromatic heterocyclic derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2016-07-05 US disclosed
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
EP-2628729-A1 AROMATIC HETEROCYCLIC DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME Idemitsu Kosan Co., Ltd. (JP) 2013-08-21 EP disclosed
EP-2617712-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING SAME Idemitsu Kosan Co., Ltd. (JP) 2013-07-24 EP disclosed
US-20120273766-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-11-01 US disclosed
US-20120181524-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-07-19 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 (3 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 1391/4885TSHR 1971/4885HAO1 2831/4885
US-20120181524-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME AOC3, NPR3, NR0B1 ALDH1A1 1045/4885TSHR 827/4885HAO1 1814/4885
US-20120273766-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME DDC, ODC1, TYR ALDH1A1 61/4885TSHR 3948/4885HAO1 1326/4885

“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.