SCHEMBL10041549

SCHEMBL10041549

c1ccc(-c2ccc(-c3ccc4c(c3)c3ccc5ccccc5c3n4-c3ccc4c(c3)c3ccccc3n3c5ccccc5nc43)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 5/20 0.41
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 4/20 0.37
POLB P06746 2/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 3/20 0.35
CAMKK1 Q8N5S9 2/20 0.32
CAMKK2 Q96RR4 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CASP1 P29466 1/20 0.32
CYP2C19 P33261 1/20 0.32
CASP7 P55210 1/20 0.32
PTGES O14684 1/20 0.32

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
SCHEMBL10041548 0.97 HPGD (0.42) HPGDALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL10041550 0.93 HPGD (0.40) HPGDALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL10023478 0.91 KDM4E (0.39) HPGDALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL10041545 0.91 KDM4E (0.47) HPGDALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL10023479 0.91 KDM4E (0.41) HPGDALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL14643689 0.87 ALDH1A1 (0.34) HPGDALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL10041547 0.86 KDM4E (0.47) HPGDALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL10023772 0.86 KDM4E (0.49) HPGDALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL20151017 0.86 KDM4E (0.41) HPGDALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL10041611 0.85 KDM4E (0.42) HPGDALDH1A1KDM4EKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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

“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.