SCHEMBL10128475

SCHEMBL10128475

Brc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-c3nnc4c5ccccc5c5ccccc5n34)ccc1-2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
PDE2A O00408 1/20 0.36
PDE10A Q9Y233 1/20 0.36
PDK2 Q15119 1/20 0.34
PTGER4 P35408 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
LMNA P02545 2/20 0.31
NPC1 O15118 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
TYMS P04818 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL10128854 0.94 POLB (0.41) POLBPDE2APDE10APDK2PTGER4
SCHEMBL10128477 0.90 POLB (0.45) POLBPDE2APDE10APTGER4KDM4E
SCHEMBL10128532 0.88 POLB (0.38) POLBPDE2APDE10AKDM4EALDH1A1
SCHEMBL10128470 0.88 POLB (0.49) POLBPDE2APDE10APTGER4KDM4E
SCHEMBL10128861 0.88 POLB (0.39) POLBPDE2APDE10APTGER4TYMS
SCHEMBL10128657 0.87 POLB (0.46) POLBKDM4EALDH1A1HPGDLMNA
SCHEMBL10127711 0.86 POLB (0.45) POLBKDM4EALDH1A1HPGDLMNA
SCHEMBL10128853 0.83 POLB (0.42) POLBPDE2APDE10APDK2PTGER4
SCHEMBL10128898 0.83 POLB (0.41) POLBLMNA
SCHEMBL10128521 0.83 POLB (0.36) POLBPDE2APDE10ATYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034486-B2 Triazole derivative, heterocyclic compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD (JP) 2015-05-19 US disclosed
US-9034486-B2 Triazole derivative, heterocyclic compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD (JP) 2015-05-19 US disclosed
WO-2012017842-A1 TRIAZOLE DERIVATIVE, HETEROCYCLIC COMPOUND, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-02-09 WO disclosed
US-20120025697-A1 Triazole Derivative, Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-02-02 US disclosed
US-20120025697-A1 Triazole Derivative, Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-02-02 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-20120025697-A1 Triazole Derivative, Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device HTR3D, KCNQ4, KCNQ3 POLB 3317/4885PDE2A 3339/4885PDE10A 3100/4885

“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.