SCHEMBL10041584

SCHEMBL10041584

c1ccc2oc(-c3ccc(-c4ccc5c(c4)c4ncccc4n4c6ccccc6nc54)cc3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.44
RAB9A P51151 6/20 0.44
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
HPGD P15428 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
HSD17B10 Q99714 4/20 0.44
HCRTR1 O43613 1/20 0.44
USP2 O75604 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP3 P42574 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL10023604 0.87 HPGD (0.46) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL10023492 0.85 HPGD (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL10023192 0.84 NPC1 (0.46) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL10023184 0.84 NPC1 (0.46) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL10023694 0.84 NPC1 (0.46) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL10023214 0.84 NPC1 (0.46) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL12546104 0.82 ALDH1A1 (0.45) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL10023736 0.81 NPC1 (0.44) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL10023661 0.81 HPGD (0.41) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL11954003 0.80 NPC1 (0.43) NPC1RAB9AALDH1A1KDM4EHPGD

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 15 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
US-9349964-B2 Organic light emitting diode and manufacturing method thereof LG CHEM, LTD. (KR) 2016-05-24 US disclosed
US-9349964-B2 Organic light emitting diode and manufacturing method thereof LG CHEM, LTD. (KR) 2016-05-24 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
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-20120193612-A1 ORGANIC LIGHT EMITTING DIODE AND MANUFACTURING METHOD THEREOF LG CHEM, LTD. (KR) 2012-08-02 US disclosed
US-20120193612-A1 ORGANIC LIGHT EMITTING DIODE AND MANUFACTURING METHOD THEREOF LG CHEM, LTD. (KR) 2012-08-02 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
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 NPC1 3498/4885RAB9A 2658/4885ALDH1A1 2949/4885
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, VDAC3 NPC1 3498/4885RAB9A 2658/4885ALDH1A1 2949/4885

“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.