SCHEMBL10041733

SCHEMBL10041733

Clc1ccc2c(c1)c1cc(-c3ccc4ccccc4c3)ccc1c1nc3ccccc3n21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
MAPT P10636 3/20 0.42
HCRTR1 O43613 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HPGD P15428 5/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BMX P51813 1/20 0.39
ALDH1A1 P00352 5/20 0.39
AHR P35869 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 3/20 0.37
POLB P06746 2/20 0.37
NPC1 O15118 2/20 0.37

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
SCHEMBL10041618 0.91 KDM4E (0.43) KDM4EMAPTCASP1CASP7HPGD
SCHEMBL10023360 0.91 KDM4E (0.43) KDM4EMAPTCASP1CASP7HPGD
SCHEMBL10041722 0.90 KDM4E (0.47) KDM4EMAPTHCRTR1CASP1CASP7
SCHEMBL10023381 0.89 KDM4E (0.48) KDM4EMAPTCASP1CASP7HPGD
SCHEMBL10023357 0.89 KDM4E (0.48) KDM4EMAPTCASP1CASP7HPGD
SCHEMBL12546115 0.89 KDM4E (0.48) KDM4EMAPTCASP1CASP7HPGD
SCHEMBL10023771 0.87 KDM4E (0.48) KDM4EMAPTHPGDBMXALDH1A1
SCHEMBL10023201 0.87 KDM4E (0.48) KDM4EMAPTCASP1CASP7HPGD
SCHEMBL10023189 0.87 KDM4E (0.48) KDM4EMAPTHPGDBMXALDH1A1
SCHEMBL10023286 0.87 KDM4E (0.48) KDM4EMAPTHPGDBMXALDH1A1

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 382/4885MAPT 2655/4885HCRTR1 2231/4885
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, VDAC3 KDM4E 382/4885MAPT 2655/4885HCRTR1 2231/4885

“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.