SCHEMBL10820025

SCHEMBL10820025

CC(C)(C)c1ccc(-c2nnc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)o2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.48
▸ NPC1 O15118 11/20 0.45
▸ RAB9A P51151 11/20 0.45
▸ KDM4E B2RXH2 5/20 0.45
▸ SMN1; SMN2 Q16637 8/20 0.43
▸ HPGD P15428 6/20 0.43
▸ TSHR P16473 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ TP53 P04637 5/20 0.42
▸ POLB P06746 3/20 0.42
▸ EGFR P00533 1/20 0.42
▸ NFKB1 P19838 2/20 0.40
▸ NFKB2 Q00653 2/20 0.40
▸ RELA Q04206 2/20 0.40
▸ MECP2 P51608 1/20 0.40

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
SCHEMBL10001253 0.96 S1PR1 (0.45) S1PR1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL10001250 0.91 S1PR1 (0.46) S1PR1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL10820026 0.89 NPC1 (0.47) S1PR1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL14339145 0.87 S1PR1 (0.52) S1PR1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL614797 0.87 NPC1 (0.51) S1PR1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL4651756 0.87 NPC1 (0.52) NPC1RAB9AKDM4ESMN1; SMN2HPGD
SCHEMBL21312049 0.87 KDM4E (0.48) NPC1RAB9AKDM4ESMN1; SMN2HPGD
SCHEMBL11987984 0.87 S1PR1 (0.47) S1PR1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL12680744 0.87 S1PR1 (0.47) S1PR1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL11987999 0.87 S1PR1 (0.47) S1PR1NPC1RAB9AKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1972625-B1 Oxadiazole derivative and light-emitting element, light-emitting device, and electronic device in which the oxadiazole derivative is used SEMICONDUCTOR ENERGY LAB (JP) 2013-08-21 — — EP disclosed
US-8221904-B2 Oxadiazole derivative and light-emitting element, light-emitting device, and electronic device in which the oxadiazole derivative is used SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-07-17 — — US disclosed
US-8221904-B2 Oxadiazole derivative and light-emitting element, light-emitting device, and electronic device in which the oxadiazole derivative is used SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-07-17 — — US disclosed
US-20080230747-A1 Oxadiazole derivative and light-emitting element, light-emitting device, and electronic device in which the oxadiazole derivative is used SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-09-25 — — US disclosed
US-20080230747-A1 Oxadiazole derivative and light-emitting element, light-emitting device, and electronic device in which the oxadiazole derivative is used SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-09-25 — — US disclosed
EP-1972625-A1 Oxadiazole derivative and light-emitting element, light-emitting device, and electronic device in which the oxadiazole derivative is used SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-09-24 — — EP 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-20080230747-A1 Oxadiazole derivative and light-emitting element, light-emitting device, and electronic device in which the oxadiazole derivative is used OXA1L, OCIAD1, NOX1 S1PR1 4616/4885NPC1 4633/4885RAB9A 4180/4885

“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.

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