SCHEMBL10041722

SCHEMBL10041722

Clc1ccc2c(c1)c1cc(-c3ccccc3)ccc1c1nc3ccccc3n21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
HPGD P15428 6/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.44
HCRTR1 O43613 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TYMS P04818 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
SCHEMBL10023101 0.92 KDM4E (0.54) KDM4EHPGDALDH1A1MAPTCASP1
SCHEMBL10041733 0.90 KDM4E (0.42) KDM4EHPGDALDH1A1MAPTHCRTR1
SCHEMBL22457005 0.88 ALDH1A1 (0.47) KDM4EHPGDALDH1A1MAPTKMT2A
SCHEMBL10023046 0.87 KDM4E (0.57) KDM4EHPGDALDH1A1MAPTCASP1
SCHEMBL10023510 0.87 KDM4E (0.57) KDM4EHPGDALDH1A1MAPTCASP1
SCHEMBL10023287 0.87 KDM4E (0.57) KDM4EHPGDALDH1A1MAPTCASP1
SCHEMBL10023476 0.87 KDM4E (0.57) KDM4EHPGDALDH1A1MAPTCASP1
SCHEMBL10023096 0.87 KDM4E (0.54) KDM4EHPGDALDH1A1MAPTCASP1
SCHEMBL10023357 0.86 KDM4E (0.48) KDM4EHPGDALDH1A1MAPTCASP1
SCHEMBL12546115 0.86 KDM4E (0.48) KDM4EHPGDALDH1A1MAPTCASP1

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 9 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

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