SCHEMBL889651

SCHEMBL889651

c1ccc(-c2nnc(-c3ccc(-c4cc(-c5cccc6ccccc56)cc5c4oc4ccc(-c6cccc7ccccc67)cc45)cc3)n2-c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
AVPR1A P37288 1/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 4/20 0.37
TSHR P16473 3/20 0.37
HPGD P15428 3/20 0.36
MAPT P10636 2/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
ALOX5 P09917 1/20 0.36
ATM Q13315 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL889751 0.95 SIRT2 (0.39) SIRT2SIRT1AVPR1AKDM4EALDH1A1
SCHEMBL889656 0.91 AVPR1A (0.42) SIRT2SIRT1AVPR1AKDM4EALDH1A1
SCHEMBL12349702 0.86 ESR1 (0.41) SIRT2SIRT1ALDH1A1MAPTRAB9A
SCHEMBL889871 0.86 AVPR1A (0.44) AVPR1AKDM4EALDH1A1HSD17B10TSHR
SCHEMBL889730 0.86 AVPR1A (0.46) SIRT2SIRT1AVPR1AKDM4EALDH1A1
SCHEMBL889741 0.86 AVPR1A (0.46) SIRT2SIRT1AVPR1AKDM4EALDH1A1
SCHEMBL889673 0.85 HPGD (0.39) SIRT2SIRT1AVPR1AKDM4EALDH1A1
SCHEMBL889849 0.85 ALOX5 (0.45) SIRT2SIRT1AVPR1AKDM4EALDH1A1
SCHEMBL889690 0.84 AVPR1A (0.40) SIRT2SIRT1AVPR1AKDM4EALDH1A1
SCHEMBL8281406 0.84 ALDH1A1 (0.53) KDM4EALDH1A1HSD17B10TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9806268-B2 Triazole derivative, and light-emitting element, light-emitting device, electronic device and lighting device using the triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-10-31 US disclosed
US-9806268-B2 Triazole derivative, and light-emitting element, light-emitting device, electronic device and lighting device using the triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-10-31 US disclosed
US-20160285005-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device Using the Triazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-09-29 US disclosed
US-20160285005-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device Using the Triazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-09-29 US disclosed
US-9359335-B2 Triazole derivative, and light-emitting element, light-emitting device, electronic device and lighting device using the triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-06-07 US disclosed
US-9359335-B2 Triazole derivative, and light-emitting element, light-emitting device, electronic device and lighting device using the triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-06-07 US disclosed
US-20150197508-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device Using the Triazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-07-16 US disclosed
US-20150197508-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device Using the Triazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-07-16 US disclosed
US-8993125-B2 Triazole derivative, and light-emitting element, light-emitting device, electronic device and lighting device using the triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-03-31 US disclosed
US-8993125-B2 Triazole derivative, and light-emitting element, light-emitting device, electronic device and lighting device using the triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-03-31 US disclosed
US-20110285276-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device Using the Triazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2011-11-24 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-20150197508-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device Using the Triazole Derivative DRD3, DRD1, GRK1 SIRT2 3430/4885SIRT1 2505/4885AVPR1A 839/4885
US-20110285276-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device Using the Triazole Derivative DRD3, DRD1, CYP1A1 SIRT2 3430/4885SIRT1 2510/4885AVPR1A 844/4885
US-20160285005-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device Using the Triazole Derivative DRD3, DRD1, GRK1 SIRT2 3430/4885SIRT1 2505/4885AVPR1A 839/4885

“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.