SCHEMBL10041709

SCHEMBL10041709

Brc1ccc(-c2ccc3ccc4ccccc4c3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP1B1 Q16678 2/20 0.51
MAPT P10636 6/20 0.41
NPC1 O15118 5/20 0.41
KDM4E B2RXH2 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 1/20 0.41
PARP1 P09874 1/20 0.41
RAB9A P51151 4/20 0.40
GLA P06280 2/20 0.40
RECQL P46063 1/20 0.40
AR P10275 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL29986362 0.85 PARP1 (0.53) CYP1A2MAPTNPC1KDM4EMEN1
SCHEMBL2913697 0.85 PARP1 (0.53) CYP1A2MAPTNPC1KDM4EMEN1
SCHEMBL30103579 0.83 PARP1 (0.51) CYP1A2MAPTNPC1KDM4EMEN1
SCHEMBL29527488 0.83 ALDH1A1 (0.54) MAPTNPC1KDM4EMEN1KMT2A
SCHEMBL17899360 0.83 ALDH1A1 (0.54) MAPTNPC1KDM4EMEN1KMT2A
SCHEMBL29035749 0.83 PARP1 (0.51) CYP1A2MAPTNPC1KDM4EMEN1
SCHEMBL30080785 0.82 RXFP1 (0.46) MAPTNPC1KDM4EMEN1KMT2A
SCHEMBL17899359 0.82 RXFP1 (0.46) MAPTNPC1KDM4EMEN1KMT2A
SCHEMBL13350114 0.82 PARP1 (0.41) CYP1A1CYP1A2CYP1B1MAPTNPC1
SCHEMBL13350118 0.82 MAOA (0.44) CYP1A2MAPTNPC1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2327679-B1 NOVEL ANTHRACENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEMICAL LTD (KR) 2017-03-01 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
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-8318325-B2 Anthracene derivatives and organic electronic device using same LG CHEM, LTD. (KR) 2012-11-27 US disclosed
US-8318325-B2 Anthracene derivatives and organic electronic device using same LG CHEM, LTD. (KR) 2012-11-27 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-20110156017-A1 NOVEL ANTHRACENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2011-06-30 US disclosed
US-20110156017-A1 NOVEL ANTHRACENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2011-06-30 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 (3 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 CYP1A1 1121/4885CYP1A2 1578/4885CYP1B1 1658/4885
US-20110156017-A1 NOVEL ANTHRACENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING SAME VDAC2, VDAC3, ANXA1 CYP1A1 260/4885CYP1A2 275/4885CYP1B1 937/4885
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, VDAC3 CYP1A1 1121/4885CYP1A2 1578/4885CYP1B1 1658/4885

“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.