SCHEMBL10041698

SCHEMBL10041698

Clc1ccc2c3ccccc3c3nc4ccccc4n3c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
HPGD P15428 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
AHR P35869 1/20 0.49
KDM4E B2RXH2 8/20 0.49
MAPT P10636 6/20 0.49
POLB P06746 4/20 0.49
HSD17B10 Q99714 3/20 0.49
LMNA P02545 2/20 0.49
TP53 P04637 1/20 0.49
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HCRTR1 O43613 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
PDE2A O00408 1/20 0.44
PDE10A Q9Y233 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL10041662 0.91 HPGD (0.49) ALDH1A1HPGDSMN1; SMN2AHRKDM4E
SCHEMBL10041700 0.91 HPGD (0.49) ALDH1A1HPGDSMN1; SMN2AHRKDM4E
SCHEMBL22456737 0.89 AHR (0.57) ALDH1A1HPGDSMN1; SMN2AHRKDM4E
SCHEMBL22457026 0.89 HPGD (0.50) ALDH1A1HPGDSMN1; SMN2AHRKDM4E
SCHEMBL14643715 0.88 AHR (0.47) ALDH1A1HPGDSMN1; SMN2AHRKDM4E
SCHEMBL10041659 0.88 KDM4E (0.51) ALDH1A1HPGDSMN1; SMN2AHRKDM4E
SCHEMBL22456993 0.86 KDM4E (0.48) ALDH1A1HPGDSMN1; SMN2AHRKDM4E
SCHEMBL10041728 0.86 HPGD (0.48) ALDH1A1HPGDSMN1; SMN2AHRKDM4E
SCHEMBL10041674 0.86 AHR (0.47) ALDH1A1HPGDSMN1; SMN2AHRKDM4E
SCHEMBL14644805 0.85 AHR (0.53) ALDH1A1HPGDSMN1; SMN2AHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020197170-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME 주식회사 엘지화학 2020-10-01 WO disclosed
US-20200303661-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2020-09-24 US disclosed
US-10700289-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2020-06-30 US disclosed
US-9972784-B2 Compounds and organic electronic device using same LG CHEM, LTD. (KR) 2018-05-15 US disclosed
US-9972784-B2 Compounds and organic electronic device using same LG CHEM, LTD. (KR) 2018-05-15 US disclosed
US-20180076395-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-03-15 US disclosed
US-20180076395-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-03-15 US 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-20140110694-A1 NOVEL COMPOUNDS AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2014-04-24 US disclosed
US-20140110694-A1 NOVEL COMPOUNDS AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2014-04-24 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-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 (5 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 ALDH1A1 2949/4885HPGD 854/4885SMN1; SMN2 1168/4885
US-20200303661-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME NR2E3, NR2E1, NOX1 ALDH1A1 2038/4885HPGD 4184/4885SMN1; SMN2 1998/4885
US-20180076395-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, PER2 ALDH1A1 750/4885HPGD 2982/4885SMN1; SMN2 3857/4885
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, VDAC3 ALDH1A1 2949/4885HPGD 854/4885SMN1; SMN2 1168/4885
US-10700289-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, PER2 ALDH1A1 750/4885HPGD 2982/4885SMN1; SMN2 3857/4885

“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.