SCHEMBL10323801

SCHEMBL10323801

[c]1ccc(Oc2cn(-c3ccccc3)c3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 11/20 0.44
▸ KDM4E B2RXH2 4/20 0.42
▸ NR4A2 P43354 1/20 0.41
▸ POLB P06746 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ HTR6 P50406 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PLA2G4A P47712 1/20 0.33

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
SCHEMBL13335079 0.84 NR4A2 (0.50) SCN9AKDM4ENR4A2POLBCTDSP1
SCHEMBL10323800 0.78 NR4A2 (0.40) SCN9AKDM4ENR4A2POLBCTDSP1
SCHEMBL28878338 0.74 NR4A2 (0.55) KDM4ENR4A2POLBCTDSP1HTR6
SCHEMBL10325497 0.73 KDM4E (0.51) KDM4ENR4A2POLBCTDSP1HTR6
SCHEMBL700645 0.69 KDM4E (0.40) SCN9AKDM4ENR4A2POLBCTDSP1
SCHEMBL5998891 0.68 LTA4H (0.50) L3MBTL1ALDH1A1
SCHEMBL20101801 0.68 NR4A2 (0.40) SCN9AKDM4ENR4A2POLBCTDSP1
SCHEMBL7431522 0.68 NR4A2 (0.56) SCN9AKDM4ENR4A2ALDH1A1
SCHEMBL31744892 0.67 LTA4H (0.39) SCN9AKDM4EPOLBATMALDH1A1
SCHEMBL20101800 0.67 NR4A2 (0.69) KDM4ENR4A2L3MBTL1ALDH1A1

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-9382206-B2 Nitrogen-containing aromatic heterocyclic derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2016-07-05 — — US disclosed
EP-2628729-A1 AROMATIC HETEROCYCLIC DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME Idemitsu Kosan Co., Ltd. (JP) 2013-08-21 — — EP disclosed
EP-2617712-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING SAME Idemitsu Kosan Co., Ltd. (JP) 2013-07-24 — — EP disclosed
US-20120273766-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-11-01 — — US disclosed
US-20120181524-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-07-19 — — 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 (2 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-20120181524-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME AOC3, NPR3, NR0B1 SCN9A 1329/4885KDM4E 3595/4885NR4A2 43/4885
US-20120273766-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME DDC, ODC1, TYR SCN9A 1289/4885KDM4E 1308/4885NR4A2 1477/4885

“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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