SCHEMBL889654

SCHEMBL889654

c1ccc(-c2nnc(-c3ccc(-c4cc(-c5ccc(-c6cccc7ccccc67)cc5)cc5c4sc4ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc45)cc3)n2-c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
LIMK1 P53667 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALK Q9UM73 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
OPRD1 P41143 1/20 0.34
PIM3 Q86V86 2/20 0.33
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
F9 P00740 1/20 0.33
ALOX5 P09917 1/20 0.33
PIM1 P11309 1/20 0.32

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
SCHEMBL889601 0.95 AVPR1A (0.37) AVPR1ACA12CA1CA2CA9
SCHEMBL889641 0.92 AVPR1A (0.44) AVPR1ALIMK1HPGDSMN1; SMN2KDM4E
SCHEMBL889602 0.92 AVPR1A (0.46) AVPR1ALIMK1HPGDSMN1; SMN2KDM4E
SCHEMBL889589 0.92 AVPR1A (0.46) AVPR1ALIMK1HPGDSMN1; SMN2KDM4E
SCHEMBL889636 0.90 AVPR1A (0.40) AVPR1ALIMK1HPGDSMN1; SMN2KDM4E
SCHEMBL889832 0.89 HPGD (0.39) AVPR1ALIMK1HPGDSMN1; SMN2KDM4E
SCHEMBL889711 0.87 AVPR1A (0.45) AVPR1ALIMK1HPGDSMN1; SMN2KDM4E
SCHEMBL12567918 0.86 ESR1 (0.40) ALDH1A1ROCK1GSK3B
SCHEMBL889604 0.86 AVPR1A (0.42) AVPR1ALIMK1HPGDSMN1; SMN2KDM4E
SCHEMBL889635 0.84 ALOX5 (0.45) AVPR1ACA12CA1CA2CA9

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 AVPR1A 839/4885CA12 4760/4885CA1 4071/4885
US-20110285276-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device Using the Triazole Derivative DRD3, DRD1, CYP1A1 AVPR1A 844/4885CA12 4717/4885CA1 3986/4885
US-20160285005-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device Using the Triazole Derivative DRD3, DRD1, GRK1 AVPR1A 839/4885CA12 4760/4885CA1 4071/4885

“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.