SCHEMBL515698

SCHEMBL515698

c1ccc(-c2nnc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)n2-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
AVPR1A P37288 2/20 0.46
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.42
GLA P06280 1/20 0.39
LIMK1 P53667 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PARP14 Q460N5 1/20 0.38
PRKDC P78527 1/20 0.38
TLR5 O60602 1/20 0.37
OXTR P30559 2/20 0.36
OPRD1 P41143 1/20 0.36
AVPR2 P30518 1/20 0.36
AKT1 P31749 1/20 0.35

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
SCHEMBL889785 0.99 ALOX5 (0.48) ALOX5AVPR1AHPGDSMN1; SMN2KDM4E
SCHEMBL889844 0.99 ALOX5 (0.48) ALOX5AVPR1AHPGDSMN1; SMN2KDM4E
SCHEMBL889795 0.97 ALOX5 (0.47) ALOX5AVPR1AHPGDSMN1; SMN2KDM4E
SCHEMBL889686 0.97 ALOX5 (0.49) ALOX5AVPR1AHPGDSMN1; SMN2KDM4E
SCHEMBL889858 0.96 ALOX5 (0.48) ALOX5AVPR1AHPGDSMN1; SMN2KDM4E
SCHEMBL889693 0.94 ALOX5 (0.47) ALOX5AVPR1AHPGDSMN1; SMN2KDM4E
SCHEMBL889710 0.94 ALOX5 (0.46) ALOX5AVPR1AHPGDSMN1; SMN2KDM4E
SCHEMBL889613 0.94 ALOX5 (0.42) ALOX5AVPR1AHPGDSMN1; SMN2KDM4E
SCHEMBL889634 0.94 ALOX5 (0.42) ALOX5AVPR1AHPGDSMN1; SMN2KDM4E
SCHEMBL889620 0.93 ALOX5 (0.45) ALOX5AVPR1AHPGDSMN1; SMN2KDM4E

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 22 patents — showing the first 20. 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-9088002-B2 Light-emitting device and manufacturing method thereof SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-07-21 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-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-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-20120205633-A1 Light-Emitting Device and Manufacturing Method Thereof SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-08-16 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
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
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-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
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 (4 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 ALOX5 1034/4885AVPR1A 839/4885HPGD 2094/4885
US-20110285276-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device Using the Triazole Derivative DRD3, DRD1, CYP1A1 ALOX5 1044/4885AVPR1A 844/4885HPGD 1989/4885
US-20120025697-A1 Triazole Derivative, Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device HTR3D, KCNQ4, KCNQ3 ALOX5 1457/4885AVPR1A 1971/4885HPGD 1148/4885
US-20160285005-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device Using the Triazole Derivative DRD3, DRD1, GRK1 ALOX5 1034/4885AVPR1A 839/4885HPGD 2094/4885

“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.