SCHEMBL1389519

SCHEMBL1389519

CC1(C)OB(c2cccc(-c3ccccn3)n2)OC1(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.52
▸ TP53 P04637 4/20 0.52
▸ LMNA P02545 3/20 0.52
▸ CCR1 P32246 3/20 0.52
▸ CCR5 P51681 3/20 0.52
▸ CCR8 P51685 3/20 0.52
▸ HTT P42858 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ ALOX15 P16050 3/20 0.52
▸ L3MBTL1 Q9Y468 3/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ ALPL P05186 1/20 0.52
▸ HSP90AA1 P07900 1/20 0.52
▸ ALPI P09923 1/20 0.52
▸ ALPG P10696 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ CYP1A2 P05177 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ METAP1 P53582 1/20 0.44
▸ BLM P54132 1/20 0.44

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
SCHEMBL4211647 0.88 LPL (0.40) KDM4ECCR1CCR8LPLLIPG
SCHEMBL708737 0.81 LPL (0.44) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29498702 0.81 LPL (0.44) KDM4ELMNACCR1CCR5CCR8
SCHEMBL1534927 0.81 LIPG (0.50) TDP1HSP90AA1POLBRAB9AALDH1A1
SCHEMBL31369065 0.81 LIPG (0.50) TDP1HSP90AA1POLBRAB9AALDH1A1
SCHEMBL21808930 0.79 RAB9A (0.40) KDM4ETP53LMNAHTTSMN1; SMN2
SCHEMBL14243962 0.79 KDM4E (0.49) KDM4ETP53LMNACCR1CCR5
SCHEMBL14243600 0.79 KDM4E (0.49) KDM4ETP53LMNACCR1CCR5
SCHEMBL23079973 0.78 CCR1 (0.49) KDM4ETP53LMNACCR1CCR5
SCHEMBL14461559 0.78 LPL (0.38) KDM4ETP53HTTSMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2311826-B1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEMICAL LTD (KR) 2017-05-24 — — EP disclosed
EP-2311826-B1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEMICAL LTD (KR) 2017-05-24 — — EP disclosed
US-9139562-B2 Nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2015-09-22 — — US disclosed
US-9139562-B2 Nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2015-09-22 — — US disclosed
US-9139562-B2 Nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2015-09-22 — — US disclosed
EP-2570412-A1 Novel nitrogen-containing heterocyclic compound and organic electronic device using the same LG Chem, Ltd. (KR) 2013-03-20 — — EP disclosed
EP-2570412-A1 Novel nitrogen-containing heterocyclic compound and organic electronic device using the same LG Chem, Ltd. (KR) 2013-03-20 — — EP disclosed
US-8368062-B2 Nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2013-02-05 — — US disclosed
US-8368062-B2 Nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2013-02-05 — — US disclosed
US-8368062-B2 Nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2013-02-05 — — US disclosed
US-20120007069-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2012-01-12 — — US disclosed
US-20120007069-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2012-01-12 — — US disclosed
US-20120007069-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2012-01-12 — — US disclosed
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2011-06-02 — — US disclosed
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2011-06-02 — — US disclosed
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2011-06-02 — — US disclosed
EP-2311826-A2 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG Chem, Ltd. (KR) 2011-04-20 — — EP disclosed
WO-2010062065-A2 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME 주식회사 엘지화학 (KR) 2010-06-03 — — WO disclosed
WO-2010062065-A2 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME 주식회사 엘지화학 (KR) 2010-06-03 — — WO 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-20120007069-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, VDAC3 KDM4E 382/4885TP53 3850/4885LMNA 2734/4885
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, VDAC3 KDM4E 382/4885TP53 3850/4885LMNA 2734/4885

“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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