SCHEMBL10041728

SCHEMBL10041728

Clc1ccc2c3ccc(-c4ccccc4)cc3c3nc4ccccc4n3c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.48
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.43
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TYMS P04818 1/20 0.42
BMX P51813 1/20 0.41
AHR P35869 1/20 0.41
CASP3 P42574 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
SCHEMBL10023094 0.91 KDM4E (0.57) HPGDKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL22456993 0.90 KDM4E (0.48) HPGDKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL10023091 0.88 KDM4E (0.57) HPGDKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL10023420 0.88 KDM4E (0.57) HPGDKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL22457026 0.87 HPGD (0.50) HPGDKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL10041698 0.86 ALDH1A1 (0.49) HPGDKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL10041722 0.86 KDM4E (0.47) HPGDKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL10023096 0.85 KDM4E (0.54) HPGDKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL10023097 0.85 ALDH1A1 (0.57) HPGDKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL10023329 0.85 KDM4E (0.61) HPGDKDM4EALDH1A1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 HPGD 854/4885KDM4E 382/4885ALDH1A1 2949/4885
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, VDAC3 HPGD 854/4885KDM4E 382/4885ALDH1A1 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.